4-methyl-N-[3-(6-oxo-1H-pyridin-2-yl)phenyl]benzenesulfonamide

C18H16N2O3S — CID 169371220

IUPAC4-methyl-N-[3-(6-oxo-1H-pyridin-2-yl)phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(-c3cccc(=O)[nH]3)c2)cc1
InChIInChI=1S/C18H16N2O3S/c1-13-8-10-16(11-9-13)24(22,23)20-15-5-2-4-14(12-15)17-6-3-7-18(21)19-17/h2-12,20H,1H3,(H,19,21)
InChIKeySDTNXYDWARUIMB-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.15
Rot. Bonds4

About 4-methyl-N-[3-(6-oxo-1H-pyridin-2-yl)phenyl]benzenesulfonamide

4-methyl-N-[3-(6-oxo-1H-pyridin-2-yl)phenyl]benzenesulfonamide (PubChem CID 169371220) has the molecular formula C18H16N2O3S and a molecular weight of 340.40 g/mol. Its IUPAC name is 4-methyl-N-[3-(6-oxo-1H-pyridin-2-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[3-(6-oxo-1H-pyridin-2-yl)phenyl]benzenesulfonamide
PubChem CID169371220
Molecular FormulaC18H16N2O3S
Molecular Weight340.40 g/mol
Exact Mass340.09
IUPAC Name4-methyl-N-[3-(6-oxo-1H-pyridin-2-yl)phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(-c3cccc(=O)[nH]3)c2)cc1
InChIInChI=1S/C18H16N2O3S/c1-13-8-10-16(11-9-13)24(22,23)20-15-5-2-4-14(12-15)17-6-3-7-18(21)19-17/h2-12,20H,1H3,(H,19,21)
InChIKeySDTNXYDWARUIMB-UHFFFAOYSA-N
XLogP3.15
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(5-fluoro-1H-indol-2-yl)phenyl]-4-methylbenzenesulfonamide
CID 46375053
4-methyl-N-(3-pyridin-4-ylphenyl)benzenesulfonamide
CID 169371905
4-methyl-N-(3-methylphenyl)benzenesulfonamide fluoride
CID 21210525
4-methyl-N-[3-(5-oxo-1,4-dihydropyrazol-3-yl)phenyl]benzenesulfonamide
CID 169370728
4-methyl-N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzenesulfonamide
CID 169372698
N-[3-(4-bromo-1-methylpyrazol-5-yl)phenyl]-4-methylbenzenesulfonamide
CID 169373356
N-(3-fluorophenyl)-4-[4-(4-methylphenyl)sulfonylphenyl]benzenesulfonamide
CID 25037271
4-methyl-N-(3-propan-2-ylsulfonylphenyl)benzenesulfonamide
CID 169372431
N-(4-methylphenyl)-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 4994558
5-[3-[(4-methylphenyl)sulfonylamino]phenyl]furan-2-carboxylic acid
CID 91688110
4-methyl-N-(3-quinolin-3-ylphenyl)benzenesulfonamide
CID 169371631
3,4-dimethyl-N-[3-(2-methyl-1H-imidazol-5-yl)phenyl]benzenesulfonamide
CID 110735641

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-(6-oxo-1H-pyridin-2-yl)phenyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[3-(6-oxo-1H-pyridin-2-yl)phenyl]benzenesulfonamide (CID 169371220) is 4-methyl-N-[3-(6-oxo-1H-pyridin-2-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[3-(6-oxo-1H-pyridin-2-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[3-(6-oxo-1H-pyridin-2-yl)phenyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cccc(-c3cccc(=O)[nH]3)c2)cc1.
What is the InChIKey of 4-methyl-N-[3-(6-oxo-1H-pyridin-2-yl)phenyl]benzenesulfonamide?
The InChIKey is SDTNXYDWARUIMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3S/c1-13-8-10-16(11-9-13)24(22,23)20-15-5-2-4-14(12-15)17-6-3-7-18(21)19-17/h2-12,20H,1H3,(H,19,21).
What are the key properties of 4-methyl-N-[3-(6-oxo-1H-pyridin-2-yl)phenyl]benzenesulfonamide?
4-methyl-N-[3-(6-oxo-1H-pyridin-2-yl)phenyl]benzenesulfonamide has a molecular weight of 340.40 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-(6-oxo-1H-pyridin-2-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 169371220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).