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

C11H13N3O3S — CID 129057147

IUPACN-methyl-4-(4-methyl-5-oxo-1,2-dihydropyrazol-3-yl)benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(-c2[nH][nH]c(=O)c2C)cc1
InChIInChI=1S/C11H13N3O3S/c1-7-10(13-14-11(7)15)8-3-5-9(6-4-8)18(16,17)12-2/h3-6,12H,1-2H3,(H2,13,14,15)
InChIKeyMMTOGCNIRIMQGW-UHFFFAOYSA-N
MW267.31 g/mol
LogP0.59
Rot. Bonds3

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

N-methyl-4-(4-methyl-5-oxo-1,2-dihydropyrazol-3-yl)benzenesulfonamide (PubChem CID 129057147) has the molecular formula C11H13N3O3S and a molecular weight of 267.31 g/mol. Its IUPAC name is N-methyl-4-(4-methyl-5-oxo-1,2-dihydropyrazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-4-(4-methyl-5-oxo-1,2-dihydropyrazol-3-yl)benzenesulfonamide
PubChem CID129057147
Molecular FormulaC11H13N3O3S
Molecular Weight267.31 g/mol
Exact Mass267.07
IUPAC NameN-methyl-4-(4-methyl-5-oxo-1,2-dihydropyrazol-3-yl)benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(-c2[nH][nH]c(=O)c2C)cc1
InChIInChI=1S/C11H13N3O3S/c1-7-10(13-14-11(7)15)8-3-5-9(6-4-8)18(16,17)12-2/h3-6,12H,1-2H3,(H2,13,14,15)
InChIKeyMMTOGCNIRIMQGW-UHFFFAOYSA-N
XLogP0.59
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(4-methyl-5-oxo-1,2-dihydropyrazol-3-yl)benzenesulfonamide?
The IUPAC name of N-methyl-4-(4-methyl-5-oxo-1,2-dihydropyrazol-3-yl)benzenesulfonamide (CID 129057147) is N-methyl-4-(4-methyl-5-oxo-1,2-dihydropyrazol-3-yl)benzenesulfonamide.
What is the SMILES notation for N-methyl-4-(4-methyl-5-oxo-1,2-dihydropyrazol-3-yl)benzenesulfonamide?
The canonical SMILES for N-methyl-4-(4-methyl-5-oxo-1,2-dihydropyrazol-3-yl)benzenesulfonamide is CNS(=O)(=O)c1ccc(-c2[nH][nH]c(=O)c2C)cc1.
What is the InChIKey of N-methyl-4-(4-methyl-5-oxo-1,2-dihydropyrazol-3-yl)benzenesulfonamide?
The InChIKey is MMTOGCNIRIMQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S/c1-7-10(13-14-11(7)15)8-3-5-9(6-4-8)18(16,17)12-2/h3-6,12H,1-2H3,(H2,13,14,15).
What are the key properties of N-methyl-4-(4-methyl-5-oxo-1,2-dihydropyrazol-3-yl)benzenesulfonamide?
N-methyl-4-(4-methyl-5-oxo-1,2-dihydropyrazol-3-yl)benzenesulfonamide has a molecular weight of 267.31 g/mol, XLogP of 0.59, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(4-methyl-5-oxo-1,2-dihydropyrazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 129057147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).