2-(Benzenesulfonyl)methylaniline | 95539-67-6
2-(Benzenesulfonyl)methylaniline
95539-67-6
C13H13NO2S
247.31300
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击: 2-(Benzenesulfonyl)methylaniline结构式
快速询单
名称和标识符
InChIKey |
SYUUHJVWQMFSRO-UHFFFAOYSA-N |
Inchi |
InChI=1S/C13H13NO2S/c14-13-9-5-4-6-11(13)10-17(15,16)12-7-2-1-3-8-12/h1-9H,10,14H2 |
SMILES |
C1=CC=C(C=C1)S(=O)(=O)CC2=CC=CC=C2N |
别名信息
- 英文别名 -
- Benzenamine, 2-[(phenylsulfonyl)methyl]-
- 2-(benzenesulfonylmethyl)aniline
- 2-[(benzenesulfonyl)methyl]aniline
- 2-aminobenzyl phenyl sulfone
- 2-Benzolsulfonylmethyl-anilin
- 2-phenylsulfonylmethylaniline
- Benzenamine,2-[(phenylsulfonyl)methyl]
- Phenyl-(2-amino-benzyl)-sulfon
- 95539-67-6
- 95539-67-6
- 95539-67-6
- 2-(Phenylsulfonylmethyl)aniline
- 2-(Phenylsulfonylmethyl)aniline
- 2-(Phenylsulfonylmethyl)aniline
- 2-(Phenylsulfonylmethyl)aniline
- 2-(Phenylsulfonylmethyl)aniline
- DTXSID60447336
- 2-(Phenylsulfonylmethyl)aniline
- DTXSID60447336
- DTXSID60447336
- DTXSID60447336
- DTXSID60447336
- CS-0259248
- CS-0259248
- DTXSID60447336
- DTXSID60447336
- Z367447570
- Z367447570
- CS-0259248
- CS-0259248
- CS-0259248
- CS-0259248
- CS-0259248
- EN300-72723
- Z367447570
- EN300-72723
- Z367447570
- Z367447570
- Z367447570
- 2-[(phenylsulfonyl)methyl]aniline
- Z367447570
- EN300-72723
- 2-[(phenylsulfonyl)methyl]aniline
- EN300-72723
- EN300-72723
- EN300-72723
- SYUUHJVWQMFSRO-UHFFFAOYSA-N
- EN300-72723
- 2-[(phenylsulfonyl)methyl]aniline
- SYUUHJVWQMFSRO-UHFFFAOYSA-N
- 2-[(phenylsulfonyl)methyl]aniline
- 2-[(phenylsulfonyl)methyl]aniline
- 2-[(phenylsulfonyl)methyl]aniline
- AKOS006034589
- 2-[(phenylsulfonyl)methyl]aniline
- AKOS006034589
- SYUUHJVWQMFSRO-UHFFFAOYSA-N
- SYUUHJVWQMFSRO-UHFFFAOYSA-N
- SYUUHJVWQMFSRO-UHFFFAOYSA-N
- SYUUHJVWQMFSRO-UHFFFAOYSA-N
- 2-((Phenylsulfonyl)methyl)aniline
- SYUUHJVWQMFSRO-UHFFFAOYSA-N
- 2-((Phenylsulfonyl)methyl)aniline
- AKOS006034589
- AKOS006034589
- AKOS006034589
- AKOS006034589
- AKOS006034589
- SCHEMBL4067607
- 2-((Phenylsulfonyl)methyl)aniline
- SCHEMBL4067607
- 2-((Phenylsulfonyl)methyl)aniline
- 2-((Phenylsulfonyl)methyl)aniline
- 2-((Phenylsulfonyl)methyl)aniline
- 2-((Phenylsulfonyl)methyl)aniline
- SCHEMBL4067607
- SCHEMBL4067607
- SCHEMBL4067607
- SCHEMBL4067607
- SCHEMBL4067607
物化性质
实验特性
LogP |
3.90470 |
PSA |
68.54000 |
计算特性
精确分子量 |
247.06700 |
氢键供体数量 |
1 |
氢键受体数量 |
3 |
可旋转化学键数量 |
3 |
同位素质量 |
247.06669983g/mol |
重原子数量 |
17 |
复杂度 |
328 |
同位素原子数量 |
0 |
确定原子立构中心数量 |
0 |
不确定原子立构中心数量 |
0 |
确定化学键立构中心数量 |
0 |
不确定化学键立构中心数量 |
0 |
共价键单元数量 |
1 |
疏水参数计算参考值(XlogP) |
2 |
拓扑分子极性表面积 |
68.5Ų |
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