4-methyl-N-[3-(5-oxo-1,4-dihydropyrazol-3-yl)phenyl]benzenesulfonamide

C16H15N3O3S — CID 169370728

IUPAC4-methyl-N-[3-(5-oxo-1,4-dihydropyrazol-3-yl)phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(C3=NNC(=O)C3)c2)cc1
InChIInChI=1S/C16H15N3O3S/c1-11-5-7-14(8-6-11)23(21,22)19-13-4-2-3-12(9-13)15-10-16(20)18-17-15/h2-9,19H,10H2,1H3,(H,18,20)
InChIKeyKNMIYZYDUYFEGZ-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.02
Rot. Bonds4

About 4-methyl-N-[3-(5-oxo-1,4-dihydropyrazol-3-yl)phenyl]benzenesulfonamide

4-methyl-N-[3-(5-oxo-1,4-dihydropyrazol-3-yl)phenyl]benzenesulfonamide (PubChem CID 169370728) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is 4-methyl-N-[3-(5-oxo-1,4-dihydropyrazol-3-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[3-(5-oxo-1,4-dihydropyrazol-3-yl)phenyl]benzenesulfonamide
PubChem CID169370728
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC Name4-methyl-N-[3-(5-oxo-1,4-dihydropyrazol-3-yl)phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(C3=NNC(=O)C3)c2)cc1
InChIInChI=1S/C16H15N3O3S/c1-11-5-7-14(8-6-11)23(21,22)19-13-4-2-3-12(9-13)15-10-16(20)18-17-15/h2-9,19H,10H2,1H3,(H,18,20)
InChIKeyKNMIYZYDUYFEGZ-UHFFFAOYSA-N
XLogP2.02
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-(3-pyridin-4-ylphenyl)benzenesulfonamide
CID 169371905
4-methyl-N-(3-methylphenyl)benzenesulfonamide fluoride
CID 21210525
4-methyl-N-[3-(6-oxo-1H-pyridin-2-yl)phenyl]benzenesulfonamide
CID 169371220
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
4-methyl-N-(3-quinolin-3-ylphenyl)benzenesulfonamide
CID 169371631
N-(3-methylphenyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 18197715
4-methyl-N-[4-(3-methylanilino)phenyl]benzenesulfonamide
CID 112985985
N-(3-fluorophenyl)-4-[4-(4-methylphenyl)sulfonylphenyl]benzenesulfonamide
CID 25037271
4-methyl-N-[3-(2-oxoimidazolidin-1-yl)phenyl]benzenesulfonamide
CID 110874022
4-methyl-N-(3-propan-2-ylsulfonylphenyl)benzenesulfonamide
CID 169372431
N-(4-methylphenyl)-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 4994558

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-(5-oxo-1,4-dihydropyrazol-3-yl)phenyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[3-(5-oxo-1,4-dihydropyrazol-3-yl)phenyl]benzenesulfonamide (CID 169370728) is 4-methyl-N-[3-(5-oxo-1,4-dihydropyrazol-3-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[3-(5-oxo-1,4-dihydropyrazol-3-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[3-(5-oxo-1,4-dihydropyrazol-3-yl)phenyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cccc(C3=NNC(=O)C3)c2)cc1.
What is the InChIKey of 4-methyl-N-[3-(5-oxo-1,4-dihydropyrazol-3-yl)phenyl]benzenesulfonamide?
The InChIKey is KNMIYZYDUYFEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S/c1-11-5-7-14(8-6-11)23(21,22)19-13-4-2-3-12(9-13)15-10-16(20)18-17-15/h2-9,19H,10H2,1H3,(H,18,20).
What are the key properties of 4-methyl-N-[3-(5-oxo-1,4-dihydropyrazol-3-yl)phenyl]benzenesulfonamide?
4-methyl-N-[3-(5-oxo-1,4-dihydropyrazol-3-yl)phenyl]benzenesulfonamide has a molecular weight of 329.38 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-(5-oxo-1,4-dihydropyrazol-3-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 169370728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).