2-methoxy-5-methyl-N-(3-pyrrol-1-ylphenyl)benzenesulfonamide

C18H18N2O3S — CID 110726303

IUPAC2-methoxy-5-methyl-N-(3-pyrrol-1-ylphenyl)benzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)Nc1cccc(-n2cccc2)c1
InChIInChI=1S/C18H18N2O3S/c1-14-8-9-17(23-2)18(12-14)24(21,22)19-15-6-5-7-16(13-15)20-10-3-4-11-20/h3-13,19H,1-2H3
InChIKeyVCHWNFSWLBHRIP-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.60
Rot. Bonds5

About 2-methoxy-5-methyl-N-(3-pyrrol-1-ylphenyl)benzenesulfonamide

2-methoxy-5-methyl-N-(3-pyrrol-1-ylphenyl)benzenesulfonamide (PubChem CID 110726303) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is 2-methoxy-5-methyl-N-(3-pyrrol-1-ylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-5-methyl-N-(3-pyrrol-1-ylphenyl)benzenesulfonamide
PubChem CID110726303
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC Name2-methoxy-5-methyl-N-(3-pyrrol-1-ylphenyl)benzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)Nc1cccc(-n2cccc2)c1
InChIInChI=1S/C18H18N2O3S/c1-14-8-9-17(23-2)18(12-14)24(21,22)19-15-6-5-7-16(13-15)20-10-3-4-11-20/h3-13,19H,1-2H3
InChIKeyVCHWNFSWLBHRIP-UHFFFAOYSA-N
XLogP3.60
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-5-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 967885
3-methyl-N-(3-pyrrol-1-ylphenyl)benzenesulfonamide
CID 51135051
3-[(2-methoxy-5-methylphenyl)sulfonylamino]benzoate
CID 8512318
2,5-dimethoxy-N-(3-methylphenyl)benzenesulfonamide
CID 3383057
2-methoxy-5-methyl-N-[4-(N-methylanilino)phenyl]benzenesulfonamide
CID 112986146
2-methoxy-5-methyl-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide
CID 16822871
2-methoxy-5-methyl-N-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide
CID 122309320
2-methoxy-5-methyl-N-pyridin-4-ylbenzenesulfonamide
CID 1125112
5-methyl-N-(3-pyrrol-1-ylphenyl)thiophene-2-sulfonamide
CID 110726306
4-methoxy-3-[(3-methylphenyl)sulfamoyl]benzoic acid
CID 1332709
N,N-diethyl-3-[(2-methoxy-5-methylphenyl)sulfonylamino]benzamide
CID 8519190
2-methoxy-5-methyl-N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide
CID 122284192

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-methyl-N-(3-pyrrol-1-ylphenyl)benzenesulfonamide?
The IUPAC name of 2-methoxy-5-methyl-N-(3-pyrrol-1-ylphenyl)benzenesulfonamide (CID 110726303) is 2-methoxy-5-methyl-N-(3-pyrrol-1-ylphenyl)benzenesulfonamide.
What is the SMILES notation for 2-methoxy-5-methyl-N-(3-pyrrol-1-ylphenyl)benzenesulfonamide?
The canonical SMILES for 2-methoxy-5-methyl-N-(3-pyrrol-1-ylphenyl)benzenesulfonamide is COc1ccc(C)cc1S(=O)(=O)Nc1cccc(-n2cccc2)c1.
What is the InChIKey of 2-methoxy-5-methyl-N-(3-pyrrol-1-ylphenyl)benzenesulfonamide?
The InChIKey is VCHWNFSWLBHRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-14-8-9-17(23-2)18(12-14)24(21,22)19-15-6-5-7-16(13-15)20-10-3-4-11-20/h3-13,19H,1-2H3.
What are the key properties of 2-methoxy-5-methyl-N-(3-pyrrol-1-ylphenyl)benzenesulfonamide?
2-methoxy-5-methyl-N-(3-pyrrol-1-ylphenyl)benzenesulfonamide has a molecular weight of 342.42 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-methyl-N-(3-pyrrol-1-ylphenyl)benzenesulfonamide is sourced from PubChem (CID 110726303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).