3-(benzenesulfonyl)-5-chloro-1H-indole

C14H10ClNO2S — CID 54518523

IUPAC3-(benzenesulfonyl)-5-chloro-1H-indole
SMILESO=S(=O)(c1ccccc1)c1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C14H10ClNO2S/c15-10-6-7-13-12(8-10)14(9-16-13)19(17,18)11-4-2-1-3-5-11/h1-9,16H
InChIKeyYOCJHBJNWGKHEN-UHFFFAOYSA-N
MW291.76 g/mol
LogP3.65
Rot. Bonds2

About 3-(benzenesulfonyl)-5-chloro-1H-indole

3-(benzenesulfonyl)-5-chloro-1H-indole (PubChem CID 54518523) has the molecular formula C14H10ClNO2S and a molecular weight of 291.76 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-5-chloro-1H-indole.

Molecular Properties

Compound Name3-(benzenesulfonyl)-5-chloro-1H-indole
PubChem CID54518523
Molecular FormulaC14H10ClNO2S
Molecular Weight291.76 g/mol
Exact Mass291.01
IUPAC Name3-(benzenesulfonyl)-5-chloro-1H-indole
SMILESO=S(=O)(c1ccccc1)c1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C14H10ClNO2S/c15-10-6-7-13-12(8-10)14(9-16-13)19(17,18)11-4-2-1-3-5-11/h1-9,16H
InChIKeyYOCJHBJNWGKHEN-UHFFFAOYSA-N
XLogP3.65
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.76
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(benzenesulfonyl)-1H-indol-5-yl]ethanol
CID 58955092
4-[(6-chloro-4-oxo-1H-quinolin-3-yl)sulfonyl]benzonitrile
CID 46507225
2-[3-(benzenesulfonyl)-1H-indol-5-yl]-N-methylethanamine
CID 24861016
3-(benzenesulfonyl)-1H-quinolin-4-one
CID 6619653
3-(benzenesulfonyl)-5-piperazin-1-yl-1H-indole;hydrochloride
CID 69352721
3-(3-chlorophenyl)sulfonyl-5-piperazin-1-yl-1H-indole
CID 22674244
3-(4-chlorophenyl)sulfonyl-5-piperazin-1-yl-1H-indole
CID 10177504
N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzenesulfonamide
CID 2991494
3-(benzenesulfonyl)-5-chloro-1H-indol-2-amine
CID 68657749
3-(4-chlorophenyl)sulfonyl-6-methyl-1H-quinolin-4-one
CID 2136458
2-[4-[[3-(benzenesulfonyl)-1H-indol-5-yl]oxy]-3,5-dichlorophenyl]sulfanylacetic acid
CID 22669905
2-(benzenesulfonyl)-5-chloroaniline
CID 20552660

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-5-chloro-1H-indole?
The IUPAC name of 3-(benzenesulfonyl)-5-chloro-1H-indole (CID 54518523) is 3-(benzenesulfonyl)-5-chloro-1H-indole.
What is the SMILES notation for 3-(benzenesulfonyl)-5-chloro-1H-indole?
The canonical SMILES for 3-(benzenesulfonyl)-5-chloro-1H-indole is O=S(=O)(c1ccccc1)c1c[nH]c2ccc(Cl)cc12.
What is the InChIKey of 3-(benzenesulfonyl)-5-chloro-1H-indole?
The InChIKey is YOCJHBJNWGKHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNO2S/c15-10-6-7-13-12(8-10)14(9-16-13)19(17,18)11-4-2-1-3-5-11/h1-9,16H.
What are the key properties of 3-(benzenesulfonyl)-5-chloro-1H-indole?
3-(benzenesulfonyl)-5-chloro-1H-indole has a molecular weight of 291.76 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-5-chloro-1H-indole is sourced from PubChem (CID 54518523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).