3-chloro-N-(1H-indol-6-yl)-4-methoxybenzenesulfonamide

C15H13ClN2O3S — CID 110730867

IUPAC3-chloro-N-(1H-indol-6-yl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc3cc[nH]c3c2)cc1Cl
InChIInChI=1S/C15H13ClN2O3S/c1-21-15-5-4-12(9-13(15)16)22(19,20)18-11-3-2-10-6-7-17-14(10)8-11/h2-9,17-18H,1H3
InChIKeySGMXBIFXPRGJBB-UHFFFAOYSA-N
MW336.80 g/mol
LogP3.63
Rot. Bonds4

About 3-chloro-N-(1H-indol-6-yl)-4-methoxybenzenesulfonamide

3-chloro-N-(1H-indol-6-yl)-4-methoxybenzenesulfonamide (PubChem CID 110730867) has the molecular formula C15H13ClN2O3S and a molecular weight of 336.80 g/mol. Its IUPAC name is 3-chloro-N-(1H-indol-6-yl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(1H-indol-6-yl)-4-methoxybenzenesulfonamide
PubChem CID110730867
Molecular FormulaC15H13ClN2O3S
Molecular Weight336.80 g/mol
Exact Mass336.03
IUPAC Name3-chloro-N-(1H-indol-6-yl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc3cc[nH]c3c2)cc1Cl
InChIInChI=1S/C15H13ClN2O3S/c1-21-15-5-4-12(9-13(15)16)22(19,20)18-11-3-2-10-6-7-17-14(10)8-11/h2-9,17-18H,1H3
InChIKeySGMXBIFXPRGJBB-UHFFFAOYSA-N
XLogP3.63
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.80
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(3-chloro-4-methoxyphenyl)benzenesulfonamide
CID 808097
3-chloro-N-(4-ethylsulfonylphenyl)-4-methoxybenzenesulfonamide
CID 39829723
3-chloro-4-methoxy-N-(2-oxo-3H-1,3-benzoxazol-6-yl)benzenesulfonamide
CID 110350533
N-(3-bromo-4-methylphenyl)-3-chloro-4-methoxybenzenesulfonamide
CID 55676131
N-(3-chloro-4-methoxyphenyl)-4-hydrazinylbenzenesulfonamide
CID 43454822
3-chloro-N-(2,6-dichlorophenyl)-4-methoxybenzenesulfonamide
CID 113098935
3-chloro-4-methoxy-N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)benzenesulfonamide
CID 110405985
methyl 4-[(3-chloro-4-methoxyphenyl)sulfamoyl]benzoate
CID 26487204
3-chloro-N-[4-(cyanomethyl)phenyl]-4-methoxybenzenesulfonamide
CID 2975219
N-(1H-indol-6-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110730882
N-(1H-indol-6-yl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 110730877
3-chloro-4-methoxy-N-(2-methoxyphenyl)benzenesulfonamide
CID 961849

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1H-indol-6-yl)-4-methoxybenzenesulfonamide?
The IUPAC name of 3-chloro-N-(1H-indol-6-yl)-4-methoxybenzenesulfonamide (CID 110730867) is 3-chloro-N-(1H-indol-6-yl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(1H-indol-6-yl)-4-methoxybenzenesulfonamide?
The canonical SMILES for 3-chloro-N-(1H-indol-6-yl)-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc3cc[nH]c3c2)cc1Cl.
What is the InChIKey of 3-chloro-N-(1H-indol-6-yl)-4-methoxybenzenesulfonamide?
The InChIKey is SGMXBIFXPRGJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O3S/c1-21-15-5-4-12(9-13(15)16)22(19,20)18-11-3-2-10-6-7-17-14(10)8-11/h2-9,17-18H,1H3.
What are the key properties of 3-chloro-N-(1H-indol-6-yl)-4-methoxybenzenesulfonamide?
3-chloro-N-(1H-indol-6-yl)-4-methoxybenzenesulfonamide has a molecular weight of 336.80 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1H-indol-6-yl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 110730867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).