2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylindole

C21H16ClNO2S — CID 139694978

IUPAC2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylindole
SMILESCc1ccc(S(=O)(=O)n2c(-c3ccccc3Cl)cc3ccccc32)cc1
InChIInChI=1S/C21H16ClNO2S/c1-15-10-12-17(13-11-15)26(24,25)23-20-9-5-2-6-16(20)14-21(23)18-7-3-4-8-19(18)22/h2-14H,1H3
InChIKeyKVOKFMJDMVRISU-UHFFFAOYSA-N
MW381.88 g/mol
LogP5.51
Rot. Bonds3

About 2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylindole

2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylindole (PubChem CID 139694978) has the molecular formula C21H16ClNO2S and a molecular weight of 381.88 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylindole.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylindole
PubChem CID139694978
Molecular FormulaC21H16ClNO2S
Molecular Weight381.88 g/mol
Exact Mass381.06
IUPAC Name2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylindole
SMILESCc1ccc(S(=O)(=O)n2c(-c3ccccc3Cl)cc3ccccc32)cc1
InChIInChI=1S/C21H16ClNO2S/c1-15-10-12-17(13-11-15)26(24,25)23-20-9-5-2-6-16(20)14-21(23)18-7-3-4-8-19(18)22/h2-14H,1H3
InChIKeyKVOKFMJDMVRISU-UHFFFAOYSA-N
XLogP5.51
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.88
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(benzenesulfonyl)-2-(2-methylphenyl)indole
CID 173032867
2-fluoro-1-(4-methylphenyl)sulfonylindole
CID 14921041
6-methyl-1-(4-methylphenyl)sulfonyl-2-phenylindole
CID 138983532
2-(bromomethyl)-1-(4-methylphenyl)sulfonylindole
CID 19047864
1-[3-methoxy-5-[1-(4-methylphenyl)sulfonylindol-2-yl]furan-2-yl]ethanone
CID 126653033
1-(4-methylphenyl)sulfonylquinolin-2-one
CID 11652332
2-benzyl-1-(4-methylphenyl)sulfonylindole
CID 139092275
1-(benzenesulfonyl)-2-chloroindole
CID 14416100
2-(4-methylphenyl)sulfonylimidazo[1,5-a]indole-1,3-dione
CID 53320345
1-(4-methylphenyl)sulfonyl-2-phenylmethoxyindole
CID 146169896
1-(benzenesulfonyl)-2-(2-chlorophenyl)-6,7-dihydroxyquinolin-4-one
CID 142635493
3-butyl-1-(4-methylphenyl)sulfonylquinolin-2-one
CID 162411610

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylindole?
The IUPAC name of 2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylindole (CID 139694978) is 2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylindole.
What is the SMILES notation for 2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylindole?
The canonical SMILES for 2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylindole is Cc1ccc(S(=O)(=O)n2c(-c3ccccc3Cl)cc3ccccc32)cc1.
What is the InChIKey of 2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylindole?
The InChIKey is KVOKFMJDMVRISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClNO2S/c1-15-10-12-17(13-11-15)26(24,25)23-20-9-5-2-6-16(20)14-21(23)18-7-3-4-8-19(18)22/h2-14H,1H3.
What are the key properties of 2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylindole?
2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylindole has a molecular weight of 381.88 g/mol, XLogP of 5.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylindole is sourced from PubChem (CID 139694978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).