Cas no 108665-94-7 (1H-Indole, 3-chloro-1-(phenylsulfonyl)-)
108665-94-7 structure
Product Name:1H-Indole, 3-chloro-1-(phenylsulfonyl)-
CAS No:108665-94-7
MF:C14H10ClNO2S
MW:291.752701282501
CID:1185986
PubChem ID:641151
Update Time:2025-04-20
1H-Indole, 3-chloro-1-(phenylsulfonyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1-(phenylsulfonyl)-3-chloroindole
- 1H-Indole, 3-chloro-1-(phenylsulfonyl)-
- 1-(benzenesulfonyl)-3-chloro-1H-indole
- InChI=1/C14H10ClNO2S/c15-13-10-16(14-9-5-4-8-12(13)14)19(17,18)11-6-2-1-3-7-11/h1-10
- 3-chloro-1-(phenylsulfonyl)-1H-indole
- 1-(benzenesulfonyl)-3-chloroindole
- DTXSID70348860
- 108665-94-7
-
- Inchi： 1S/C14H10ClNO2S/c15-13-10-16(14-9-5-4-8-12(13)14)19(17,18)11-6-2-1-3-7-11/h1-10H
- InChI Key： UPPRTLFSJHQURM-UHFFFAOYSA-N
- SMILES： ClC1=CN(C2C=CC=CC=21)S(C1C=CC=CC=1)(=O)=O
Computed Properties
- Exact Mass: 291.0122
- Monoisotopic Mass: 291.0120774g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 19
- Rotatable Bond Count: 2
- Complexity: 414
- 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: 3.9
- Topological Polar Surface Area: 47.4?2
Experimental Properties
- PSA: 39.07
1H-Indole, 3-chloro-1-(phenylsulfonyl)- Related Literature
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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