4-methyl-N-(2-methyl-5-pyrrol-1-ylphenyl)benzenesulfonamide

C18H18N2O2S — CID 46242018

IUPAC4-methyl-N-(2-methyl-5-pyrrol-1-ylphenyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(-n3cccc3)ccc2C)cc1
InChIInChI=1S/C18H18N2O2S/c1-14-5-9-17(10-6-14)23(21,22)19-18-13-16(8-7-15(18)2)20-11-3-4-12-20/h3-13,19H,1-2H3
InChIKeyACABJTWHAOOIQE-UHFFFAOYSA-N
MW326.42 g/mol
LogP3.89
Rot. Bonds4

About 4-methyl-N-(2-methyl-5-pyrrol-1-ylphenyl)benzenesulfonamide

4-methyl-N-(2-methyl-5-pyrrol-1-ylphenyl)benzenesulfonamide (PubChem CID 46242018) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is 4-methyl-N-(2-methyl-5-pyrrol-1-ylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(2-methyl-5-pyrrol-1-ylphenyl)benzenesulfonamide
PubChem CID46242018
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC Name4-methyl-N-(2-methyl-5-pyrrol-1-ylphenyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(-n3cccc3)ccc2C)cc1
InChIInChI=1S/C18H18N2O2S/c1-14-5-9-17(10-6-14)23(21,22)19-18-13-16(8-7-15(18)2)20-11-3-4-12-20/h3-13,19H,1-2H3
InChIKeyACABJTWHAOOIQE-UHFFFAOYSA-N
XLogP3.89
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-(2-methyl-5-pyrrolidin-1-ylphenyl)benzenesulfonamide
CID 110361741
N-(2-methyl-5-pyrrol-1-ylphenyl)-2-(trifluoromethyl)pyridine-4-sulfonamide
CID 67283740
4-methyl-N-(2,4,5-trimethylphenyl)benzenesulfonamide
CID 59317382
N-(5-methoxy-2-methylphenyl)-4-methylbenzenesulfonamide
CID 5146130
4-bromo-N-(2,5-dimethylphenyl)benzenesulfonamide
CID 4517500
N-[3-(benzenesulfonamido)-4-methylphenyl]-2-(4-pyrrol-1-ylphenyl)acetamide
CID 46465417
N-(2-methyl-5-piperidin-1-ylphenyl)benzenesulfonamide
CID 110362204
N-(2,5-dimethylphenyl)-3-methylbenzenesulfonamide
CID 47104321
N-(2,5-dimethylphenyl)-4-propan-2-ylbenzenesulfonamide
CID 7573896
N,4-dimethyl-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 19062594
4-methyl-N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 1241617
N-(5-bromo-2-methylphenyl)-4-phenylbenzenesulfonamide
CID 4677884

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-methyl-5-pyrrol-1-ylphenyl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(2-methyl-5-pyrrol-1-ylphenyl)benzenesulfonamide (CID 46242018) is 4-methyl-N-(2-methyl-5-pyrrol-1-ylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(2-methyl-5-pyrrol-1-ylphenyl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(2-methyl-5-pyrrol-1-ylphenyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cc(-n3cccc3)ccc2C)cc1.
What is the InChIKey of 4-methyl-N-(2-methyl-5-pyrrol-1-ylphenyl)benzenesulfonamide?
The InChIKey is ACABJTWHAOOIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S/c1-14-5-9-17(10-6-14)23(21,22)19-18-13-16(8-7-15(18)2)20-11-3-4-12-20/h3-13,19H,1-2H3.
What are the key properties of 4-methyl-N-(2-methyl-5-pyrrol-1-ylphenyl)benzenesulfonamide?
4-methyl-N-(2-methyl-5-pyrrol-1-ylphenyl)benzenesulfonamide has a molecular weight of 326.42 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-methyl-5-pyrrol-1-ylphenyl)benzenesulfonamide is sourced from PubChem (CID 46242018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).