3-methyl-N-(3-pyrrol-1-ylphenyl)benzenesulfonamide

C17H16N2O2S — CID 51135051

IUPAC3-methyl-N-(3-pyrrol-1-ylphenyl)benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2cccc(-n3cccc3)c2)c1
InChIInChI=1S/C17H16N2O2S/c1-14-6-4-9-17(12-14)22(20,21)18-15-7-5-8-16(13-15)19-10-2-3-11-19/h2-13,18H,1H3
InChIKeyCZAGUEGYAFWFRR-UHFFFAOYSA-N
MW312.39 g/mol
LogP3.59
Rot. Bonds4

About 3-methyl-N-(3-pyrrol-1-ylphenyl)benzenesulfonamide

3-methyl-N-(3-pyrrol-1-ylphenyl)benzenesulfonamide (PubChem CID 51135051) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is 3-methyl-N-(3-pyrrol-1-ylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-methyl-N-(3-pyrrol-1-ylphenyl)benzenesulfonamide
PubChem CID51135051
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC Name3-methyl-N-(3-pyrrol-1-ylphenyl)benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2cccc(-n3cccc3)c2)c1
InChIInChI=1S/C17H16N2O2S/c1-14-6-4-9-17(12-14)22(20,21)18-15-7-5-8-16(13-15)19-10-2-3-11-19/h2-13,18H,1H3
InChIKeyCZAGUEGYAFWFRR-UHFFFAOYSA-N
XLogP3.59
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-(3-piperidin-1-ylphenyl)benzenesulfonamide
CID 110362158
2-methoxy-5-methyl-N-(3-pyrrol-1-ylphenyl)benzenesulfonamide
CID 110726303
3-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 7635918
N-(3-methylphenyl)-3-[3-[(3-methylphenyl)sulfamoyl]phenyl]sulfonylbenzenesulfonamide
CID 3091379
5-methyl-N-(3-pyrrol-1-ylphenyl)thiophene-2-sulfonamide
CID 110726306
N-methyl-3-pyrrol-1-ylbenzenesulfonamide
CID 118078276
N-(4-imidazol-1-ylphenyl)-3-methylbenzenesulfonamide
CID 3768573
3-methyl-N-[4-(3-methylanilino)phenyl]benzenesulfonamide
CID 112986000
N-(4-chlorophenyl)-3-methylbenzenesulfonamide
CID 805135
3-methoxy-N-(3-methylphenyl)benzenesulfonamide
CID 889782
3-methyl-N-(4-piperidin-1-ylphenyl)benzenesulfonamide
CID 5017994
3-methyl-N-[3-(sulfamoylmethyl)phenyl]benzenesulfonamide
CID 51097762

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(3-pyrrol-1-ylphenyl)benzenesulfonamide?
The IUPAC name of 3-methyl-N-(3-pyrrol-1-ylphenyl)benzenesulfonamide (CID 51135051) is 3-methyl-N-(3-pyrrol-1-ylphenyl)benzenesulfonamide.
What is the SMILES notation for 3-methyl-N-(3-pyrrol-1-ylphenyl)benzenesulfonamide?
The canonical SMILES for 3-methyl-N-(3-pyrrol-1-ylphenyl)benzenesulfonamide is Cc1cccc(S(=O)(=O)Nc2cccc(-n3cccc3)c2)c1.
What is the InChIKey of 3-methyl-N-(3-pyrrol-1-ylphenyl)benzenesulfonamide?
The InChIKey is CZAGUEGYAFWFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S/c1-14-6-4-9-17(12-14)22(20,21)18-15-7-5-8-16(13-15)19-10-2-3-11-19/h2-13,18H,1H3.
What are the key properties of 3-methyl-N-(3-pyrrol-1-ylphenyl)benzenesulfonamide?
3-methyl-N-(3-pyrrol-1-ylphenyl)benzenesulfonamide has a molecular weight of 312.39 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(3-pyrrol-1-ylphenyl)benzenesulfonamide is sourced from PubChem (CID 51135051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).