6-chloro-N-(4-chloro-5-fluoro-2-methylphenyl)-7-methyl-1H-indole-3-sulfonamide

C16H13Cl2FN2O2S — CID 163553285

IUPAC6-chloro-N-(4-chloro-5-fluoro-2-methylphenyl)-7-methyl-1H-indole-3-sulfonamide
SMILESCc1cc(Cl)c(F)cc1NS(=O)(=O)c1c[nH]c2c(C)c(Cl)ccc12
InChIInChI=1S/C16H13Cl2FN2O2S/c1-8-5-12(18)13(19)6-14(8)21-24(22,23)15-7-20-16-9(2)11(17)4-3-10(15)16/h3-7,20-21H,1-2H3
InChIKeyFKWZMYSIVVAXNE-UHFFFAOYSA-N
MW387.26 g/mol
LogP5.03
Rot. Bonds3

About 6-chloro-N-(4-chloro-5-fluoro-2-methylphenyl)-7-methyl-1H-indole-3-sulfonamide

6-chloro-N-(4-chloro-5-fluoro-2-methylphenyl)-7-methyl-1H-indole-3-sulfonamide (PubChem CID 163553285) has the molecular formula C16H13Cl2FN2O2S and a molecular weight of 387.26 g/mol. Its IUPAC name is 6-chloro-N-(4-chloro-5-fluoro-2-methylphenyl)-7-methyl-1H-indole-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-(4-chloro-5-fluoro-2-methylphenyl)-7-methyl-1H-indole-3-sulfonamide
PubChem CID163553285
Molecular FormulaC16H13Cl2FN2O2S
Molecular Weight387.26 g/mol
Exact Mass386.01
IUPAC Name6-chloro-N-(4-chloro-5-fluoro-2-methylphenyl)-7-methyl-1H-indole-3-sulfonamide
SMILESCc1cc(Cl)c(F)cc1NS(=O)(=O)c1c[nH]c2c(C)c(Cl)ccc12
InChIInChI=1S/C16H13Cl2FN2O2S/c1-8-5-12(18)13(19)6-14(8)21-24(22,23)15-7-20-16-9(2)11(17)4-3-10(15)16/h3-7,20-21H,1-2H3
InChIKeyFKWZMYSIVVAXNE-UHFFFAOYSA-N
XLogP5.03
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.26
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-7-methoxy-N-(2,4,5-trifluorophenyl)-1H-indole-3-sulfonamide
CID 135188145
6-chloro-N-(4-methylthiophen-3-yl)-1H-indole-3-sulfonamide
CID 176711099
N-(4-chloro-2,5-difluorophenyl)-6-thiophen-3-yl-1H-indole-3-sulfonamide
CID 135201179
N-(4-amino-5-chloro-2-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 105399609
N-(4-bromo-2,5-difluorophenyl)-6-chloro-1H-indole-3-sulfonamide
CID 135201048
7-chloro-N-[5-chloro-1-(trifluoromethyl)pyrazol-4-yl]-6-methyl-1H-indole-3-sulfonamide
CID 176710954
6-chloro-N-(3,5-difluoro-6-methoxy-2-pyridinyl)-7-(trifluoromethyl)-1H-indole-3-sulfonamide
CID 135201511
5-amino-2-chloro-N-(2,5-difluoro-4-methylphenyl)benzenesulfonamide
CID 103584427
6-fluoro-N-(2,4,5-trifluorophenyl)-1H-indole-3-sulfonamide
CID 135201111
N-(5-bromo-2-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 115610711
6-chloro-N-(4-chloro-2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 135201156
6-bromo-N-(2,4,5-trifluorophenyl)-1H-indole-3-sulfonamide
CID 135201012

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4-chloro-5-fluoro-2-methylphenyl)-7-methyl-1H-indole-3-sulfonamide?
The IUPAC name of 6-chloro-N-(4-chloro-5-fluoro-2-methylphenyl)-7-methyl-1H-indole-3-sulfonamide (CID 163553285) is 6-chloro-N-(4-chloro-5-fluoro-2-methylphenyl)-7-methyl-1H-indole-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-(4-chloro-5-fluoro-2-methylphenyl)-7-methyl-1H-indole-3-sulfonamide?
The canonical SMILES for 6-chloro-N-(4-chloro-5-fluoro-2-methylphenyl)-7-methyl-1H-indole-3-sulfonamide is Cc1cc(Cl)c(F)cc1NS(=O)(=O)c1c[nH]c2c(C)c(Cl)ccc12.
What is the InChIKey of 6-chloro-N-(4-chloro-5-fluoro-2-methylphenyl)-7-methyl-1H-indole-3-sulfonamide?
The InChIKey is FKWZMYSIVVAXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2FN2O2S/c1-8-5-12(18)13(19)6-14(8)21-24(22,23)15-7-20-16-9(2)11(17)4-3-10(15)16/h3-7,20-21H,1-2H3.
What are the key properties of 6-chloro-N-(4-chloro-5-fluoro-2-methylphenyl)-7-methyl-1H-indole-3-sulfonamide?
6-chloro-N-(4-chloro-5-fluoro-2-methylphenyl)-7-methyl-1H-indole-3-sulfonamide has a molecular weight of 387.26 g/mol, XLogP of 5.03, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4-chloro-5-fluoro-2-methylphenyl)-7-methyl-1H-indole-3-sulfonamide is sourced from PubChem (CID 163553285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).