4-methyl-N-(3-pyridin-4-ylphenyl)benzenesulfonamide

C18H16N2O2S — CID 169371905

IUPAC4-methyl-N-(3-pyridin-4-ylphenyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(-c3ccncc3)c2)cc1
InChIInChI=1S/C18H16N2O2S/c1-14-5-7-18(8-6-14)23(21,22)20-17-4-2-3-16(13-17)15-9-11-19-12-10-15/h2-13,20H,1H3
InChIKeyKEEHGOVHMYNLIW-UHFFFAOYSA-N
MW324.41 g/mol
LogP3.86
Rot. Bonds4

About 4-methyl-N-(3-pyridin-4-ylphenyl)benzenesulfonamide

4-methyl-N-(3-pyridin-4-ylphenyl)benzenesulfonamide (PubChem CID 169371905) has the molecular formula C18H16N2O2S and a molecular weight of 324.41 g/mol. Its IUPAC name is 4-methyl-N-(3-pyridin-4-ylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(3-pyridin-4-ylphenyl)benzenesulfonamide
PubChem CID169371905
Molecular FormulaC18H16N2O2S
Molecular Weight324.41 g/mol
Exact Mass324.09
IUPAC Name4-methyl-N-(3-pyridin-4-ylphenyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(-c3ccncc3)c2)cc1
InChIInChI=1S/C18H16N2O2S/c1-14-5-7-18(8-6-14)23(21,22)20-17-4-2-3-16(13-17)15-9-11-19-12-10-15/h2-13,20H,1H3
InChIKeyKEEHGOVHMYNLIW-UHFFFAOYSA-N
XLogP3.86
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzenesulfonamide
CID 169372698
4-methyl-N-(3-methylphenyl)benzenesulfonamide fluoride
CID 21210525
4-methyl-N-(3-quinolin-3-ylphenyl)benzenesulfonamide
CID 169371631
4-methyl-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 108784245
N-(3-fluorophenyl)-4-[4-(4-methylphenyl)sulfonylphenyl]benzenesulfonamide
CID 25037271
N-(4-methylphenyl)-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 4994558
4-methyl-N-[3-(6-oxo-1H-pyridin-2-yl)phenyl]benzenesulfonamide
CID 169371220
4-methyl-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 108784217
4-methyl-N-(3-propan-2-ylsulfonylphenyl)benzenesulfonamide
CID 169372431
4-methyl-N-[3-(5-oxo-1,4-dihydropyrazol-3-yl)phenyl]benzenesulfonamide
CID 169370728
1-N-methyl-4-N-[4-(3-methylphenyl)phenyl]benzene-1,4-disulfonamide
CID 167965219
N-(5-methyl-2-pyridinyl)-4-pyridin-4-ylbenzenesulfonamide
CID 110454365

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(3-pyridin-4-ylphenyl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(3-pyridin-4-ylphenyl)benzenesulfonamide (CID 169371905) is 4-methyl-N-(3-pyridin-4-ylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(3-pyridin-4-ylphenyl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(3-pyridin-4-ylphenyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cccc(-c3ccncc3)c2)cc1.
What is the InChIKey of 4-methyl-N-(3-pyridin-4-ylphenyl)benzenesulfonamide?
The InChIKey is KEEHGOVHMYNLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2S/c1-14-5-7-18(8-6-14)23(21,22)20-17-4-2-3-16(13-17)15-9-11-19-12-10-15/h2-13,20H,1H3.
What are the key properties of 4-methyl-N-(3-pyridin-4-ylphenyl)benzenesulfonamide?
4-methyl-N-(3-pyridin-4-ylphenyl)benzenesulfonamide has a molecular weight of 324.41 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3-pyridin-4-ylphenyl)benzenesulfonamide is sourced from PubChem (CID 169371905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).