N-methyl-4-(5-oxo-1,2-dihydropyrazol-3-yl)benzenesulfonamide

C10H11N3O3S — CID 91356924

IUPACN-methyl-4-(5-oxo-1,2-dihydropyrazol-3-yl)benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(-c2cc(=O)[nH][nH]2)cc1
InChIInChI=1S/C10H11N3O3S/c1-11-17(15,16)8-4-2-7(3-5-8)9-6-10(14)13-12-9/h2-6,11H,1H3,(H2,12,13,14)
InChIKeyKWIZVCVLDGUBBJ-UHFFFAOYSA-N
MW253.28 g/mol
LogP0.28
Rot. Bonds3

About N-methyl-4-(5-oxo-1,2-dihydropyrazol-3-yl)benzenesulfonamide

N-methyl-4-(5-oxo-1,2-dihydropyrazol-3-yl)benzenesulfonamide (PubChem CID 91356924) has the molecular formula C10H11N3O3S and a molecular weight of 253.28 g/mol. Its IUPAC name is N-methyl-4-(5-oxo-1,2-dihydropyrazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-4-(5-oxo-1,2-dihydropyrazol-3-yl)benzenesulfonamide
PubChem CID91356924
Molecular FormulaC10H11N3O3S
Molecular Weight253.28 g/mol
Exact Mass253.05
IUPAC NameN-methyl-4-(5-oxo-1,2-dihydropyrazol-3-yl)benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(-c2cc(=O)[nH][nH]2)cc1
InChIInChI=1S/C10H11N3O3S/c1-11-17(15,16)8-4-2-7(3-5-8)9-6-10(14)13-12-9/h2-6,11H,1H3,(H2,12,13,14)
InChIKeyKWIZVCVLDGUBBJ-UHFFFAOYSA-N
XLogP0.28
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-Amino-1-(4-methylphenylsulfonyl)-4-pyrazolin-3-one
CID 11834379
3,4-dimethyl-N'-[(4-methylphenyl)sulfonyl]-2-thioxo-2,3-dihydro-1,3-thiazole-5-carbohydrazide
CID 5123267
Pcmd-CC-mcm-23
CID 11834388
5-[4-(4,4-difluoropiperidin-1-yl)sulfonylphenyl]-2-methyl-1H-pyrazol-3-one
CID 118538474
N'-(3-methylcyclohex-2-en-1-yl)-N-(4-methylphenyl)sulfonylacetohydrazide
CID 57407755
N'-cyclohex-2-en-1-yl-N-(4-methylphenyl)sulfonylacetohydrazide
CID 135020255
N-(4-methylphenyl)sulfonyl-N'-[(E)-undec-6-en-5-yl]acetohydrazide
CID 135020359
N'-[(E)-3-methylpent-3-en-2-yl]-N-(4-methylphenyl)sulfonylacetohydrazide
CID 135020360
N'-(4-methylpent-3-en-2-yl)-N-(4-methylphenyl)sulfonylacetohydrazide
CID 135020403
N'-cyclopent-2-en-1-yl-N-(4-methylphenyl)sulfonylacetohydrazide
CID 135041692
N-(4-methylphenyl)sulfonyl-N'-[(E)-pent-3-en-2-yl]acetohydrazide
CID 135042438
N-[4-(aminomethyl)phenyl]sulfonylacetamide
CID 12720450

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(5-oxo-1,2-dihydropyrazol-3-yl)benzenesulfonamide?
The IUPAC name of N-methyl-4-(5-oxo-1,2-dihydropyrazol-3-yl)benzenesulfonamide (CID 91356924) is N-methyl-4-(5-oxo-1,2-dihydropyrazol-3-yl)benzenesulfonamide.
What is the SMILES notation for N-methyl-4-(5-oxo-1,2-dihydropyrazol-3-yl)benzenesulfonamide?
The canonical SMILES for N-methyl-4-(5-oxo-1,2-dihydropyrazol-3-yl)benzenesulfonamide is CNS(=O)(=O)c1ccc(-c2cc(=O)[nH][nH]2)cc1.
What is the InChIKey of N-methyl-4-(5-oxo-1,2-dihydropyrazol-3-yl)benzenesulfonamide?
The InChIKey is KWIZVCVLDGUBBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3S/c1-11-17(15,16)8-4-2-7(3-5-8)9-6-10(14)13-12-9/h2-6,11H,1H3,(H2,12,13,14).
What are the key properties of N-methyl-4-(5-oxo-1,2-dihydropyrazol-3-yl)benzenesulfonamide?
N-methyl-4-(5-oxo-1,2-dihydropyrazol-3-yl)benzenesulfonamide has a molecular weight of 253.28 g/mol, XLogP of 0.28, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(5-oxo-1,2-dihydropyrazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 91356924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).