3-methoxy-N-(4-methylphenyl)-4-(1H-pyrrol-2-yl)benzenesulfonamide

C18H18N2O3S — CID 139733667

IUPAC3-methoxy-N-(4-methylphenyl)-4-(1H-pyrrol-2-yl)benzenesulfonamide
SMILESCOc1cc(S(=O)(=O)Nc2ccc(C)cc2)ccc1-c1ccc[nH]1
InChIInChI=1S/C18H18N2O3S/c1-13-5-7-14(8-6-13)20-24(21,22)15-9-10-16(18(12-15)23-2)17-4-3-11-19-17/h3-12,19-20H,1-2H3
InChIKeyZOGRRYOJFHXHFA-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.80
Rot. Bonds5

About 3-methoxy-N-(4-methylphenyl)-4-(1H-pyrrol-2-yl)benzenesulfonamide

3-methoxy-N-(4-methylphenyl)-4-(1H-pyrrol-2-yl)benzenesulfonamide (PubChem CID 139733667) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is 3-methoxy-N-(4-methylphenyl)-4-(1H-pyrrol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-methoxy-N-(4-methylphenyl)-4-(1H-pyrrol-2-yl)benzenesulfonamide
PubChem CID139733667
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC Name3-methoxy-N-(4-methylphenyl)-4-(1H-pyrrol-2-yl)benzenesulfonamide
SMILESCOc1cc(S(=O)(=O)Nc2ccc(C)cc2)ccc1-c1ccc[nH]1
InChIInChI=1S/C18H18N2O3S/c1-13-5-7-14(8-6-13)20-24(21,22)15-9-10-16(18(12-15)23-2)17-4-3-11-19-17/h3-12,19-20H,1-2H3
InChIKeyZOGRRYOJFHXHFA-UHFFFAOYSA-N
XLogP3.80
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dimethoxy-N-[4-(4-methylanilino)phenyl]benzenesulfonamide
CID 112986058
4-methoxy-3-methyl-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 126126840
3-bromo-4-methoxy-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 39361432
2-methoxy-4-[(4-methylphenyl)sulfamoyl]benzoic acid
CID 57119574
N-(4-bromo-3-methoxyphenyl)-4-methylbenzenesulfonamide
CID 169369936
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3,4-dimethoxybenzenesulfonamide
CID 2290578
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3,4-dimethoxybenzenesulfonamide
CID 3801791
3,4-dimethoxy-N-[4-[[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]benzenesulfonamide
CID 122297617
N-(3,5-dimethylphenyl)-3,4-dimethoxybenzenesulfonamide
CID 4828069
N-(4-chloro-3-methoxyphenyl)-4-methylbenzenesulfonamide
CID 169369934
N-(4-methylphenyl)-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 4994558
N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-methylbenzenesulfonamide
CID 169373450

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(4-methylphenyl)-4-(1H-pyrrol-2-yl)benzenesulfonamide?
The IUPAC name of 3-methoxy-N-(4-methylphenyl)-4-(1H-pyrrol-2-yl)benzenesulfonamide (CID 139733667) is 3-methoxy-N-(4-methylphenyl)-4-(1H-pyrrol-2-yl)benzenesulfonamide.
What is the SMILES notation for 3-methoxy-N-(4-methylphenyl)-4-(1H-pyrrol-2-yl)benzenesulfonamide?
The canonical SMILES for 3-methoxy-N-(4-methylphenyl)-4-(1H-pyrrol-2-yl)benzenesulfonamide is COc1cc(S(=O)(=O)Nc2ccc(C)cc2)ccc1-c1ccc[nH]1.
What is the InChIKey of 3-methoxy-N-(4-methylphenyl)-4-(1H-pyrrol-2-yl)benzenesulfonamide?
The InChIKey is ZOGRRYOJFHXHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-13-5-7-14(8-6-13)20-24(21,22)15-9-10-16(18(12-15)23-2)17-4-3-11-19-17/h3-12,19-20H,1-2H3.
What are the key properties of 3-methoxy-N-(4-methylphenyl)-4-(1H-pyrrol-2-yl)benzenesulfonamide?
3-methoxy-N-(4-methylphenyl)-4-(1H-pyrrol-2-yl)benzenesulfonamide has a molecular weight of 342.42 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(4-methylphenyl)-4-(1H-pyrrol-2-yl)benzenesulfonamide is sourced from PubChem (CID 139733667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).