Cas no 100557-22-0 (1H-Indol-4-amine,1-(phenylsulfonyl)-)
100557-22-0 structure
Product Name:1H-Indol-4-amine,1-(phenylsulfonyl)-
CAS No:100557-22-0
MF:C14H12N2O2S
MW:272.322281837463
CID:136572
PubChem ID:13564155
Update Time:2025-04-19
1H-Indol-4-amine,1-(phenylsulfonyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Indol-4-amine,1-(phenylsulfonyl)-
- 1-(benzenesulfonyl)indol-4-amine
- 4-Amino-1-(phenylsulfonyl)-indole
- 1-benzenesulfonyl-1H-indol-4-ylamine
- 4-amino-1-(benzenesulfonyl)indole
- 4-amino-1-(phenylsulfonyl)indole
- ACMC-1C6S8
- AG-D-05921
- AGN-PC-00N36V
- CTK3J9069
- SureCN5746143
- SCHEMBL5746143
- DTXSID40543926
- XQPCIFQSPLEMHI-UHFFFAOYSA-N
- AKOS015911573
- 1-(Benzenesulfonyl)-1H-indol-4-amine
- 100557-22-0
- 1-(Phenylsulfonyl)-1H-indol-4-amine
-
- Inchi： 1S/C14H12N2O2S/c15-13-7-4-8-14-12(13)9-10-16(14)19(17,18)11-5-2-1-3-6-11/h1-10H,15H2
- InChI Key： XQPCIFQSPLEMHI-UHFFFAOYSA-N
- SMILES： S(C1C=CC=CC=1)(N1C=CC2C(=CC=CC1=2)N)(=O)=O
Computed Properties
- Exact Mass: 272.06206
- Monoisotopic Mass: 272.06194880g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 2
- Complexity: 412
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.5
- Topological Polar Surface Area: 73.5?2
Experimental Properties
- PSA: 65.09
- LogP: 4.12250
1H-Indol-4-amine,1-(phenylsulfonyl)- Related Literature
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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