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

C14H13N3O3S — CID 169370724

IUPAC4-methyl-N-(3-oxo-1,2-dihydroindazol-5-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc3[nH][nH]c(=O)c3c2)cc1
InChIInChI=1S/C14H13N3O3S/c1-9-2-5-11(6-3-9)21(19,20)17-10-4-7-13-12(8-10)14(18)16-15-13/h2-8,17H,1H3,(H2,15,16,18)
InChIKeyGYDQUAZDTGAIJM-UHFFFAOYSA-N
MW303.34 g/mol
LogP1.97
Rot. Bonds3

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

4-methyl-N-(3-oxo-1,2-dihydroindazol-5-yl)benzenesulfonamide (PubChem CID 169370724) has the molecular formula C14H13N3O3S and a molecular weight of 303.34 g/mol. Its IUPAC name is 4-methyl-N-(3-oxo-1,2-dihydroindazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(3-oxo-1,2-dihydroindazol-5-yl)benzenesulfonamide
PubChem CID169370724
Molecular FormulaC14H13N3O3S
Molecular Weight303.34 g/mol
Exact Mass303.07
IUPAC Name4-methyl-N-(3-oxo-1,2-dihydroindazol-5-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc3[nH][nH]c(=O)c3c2)cc1
InChIInChI=1S/C14H13N3O3S/c1-9-2-5-11(6-3-9)21(19,20)17-10-4-7-13-12(8-10)14(18)16-15-13/h2-8,17H,1H3,(H2,15,16,18)
InChIKeyGYDQUAZDTGAIJM-UHFFFAOYSA-N
XLogP1.97
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-methyl-N-(3-oxo-1,2-dihydroindazol-5-yl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-N-(3-methylsulfanyl-1H-indol-5-yl)benzenesulfonamide
CID 169372574
4-methyl-N-(5H-pyrido[4,3-b]indol-8-yl)benzenesulfonamide
CID 52946231
N-(1,4-dioxo-2,3-dihydrophthalazin-6-yl)-4-fluoro-3-methylbenzenesulfonamide
CID 110734574
N-(4-iodo-3-methylphenyl)-4-methylbenzenesulfonamide
CID 86078083
N-(4-methylphenyl)-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 4994558
N-(2,3-dihydro-1H-isoindol-5-yl)-4-methylbenzenesulfonamide
CID 169371529
N-(2-methylsulfonylphenyl)-3-oxo-1,2-dihydroindazole-5-sulfonamide
CID 22567207
4-methyl-N-(3-methylphenyl)benzenesulfonamide fluoride
CID 21210525
4-methyl-N-(3-methyl-4-oxoquinazolin-6-yl)benzenesulfonamide
CID 169372734
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide
CID 3719852
N-[3-(dimethylamino)-4-methylphenyl]-4-methylbenzenesulfonamide
CID 169371894
4-methyl-N-[3-(6-oxo-1H-pyridin-2-yl)phenyl]benzenesulfonamide
CID 169371220

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(3-oxo-1,2-dihydroindazol-5-yl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(3-oxo-1,2-dihydroindazol-5-yl)benzenesulfonamide (CID 169370724) is 4-methyl-N-(3-oxo-1,2-dihydroindazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(3-oxo-1,2-dihydroindazol-5-yl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(3-oxo-1,2-dihydroindazol-5-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc3[nH][nH]c(=O)c3c2)cc1.
What is the InChIKey of 4-methyl-N-(3-oxo-1,2-dihydroindazol-5-yl)benzenesulfonamide?
The InChIKey is GYDQUAZDTGAIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3S/c1-9-2-5-11(6-3-9)21(19,20)17-10-4-7-13-12(8-10)14(18)16-15-13/h2-8,17H,1H3,(H2,15,16,18).
What are the key properties of 4-methyl-N-(3-oxo-1,2-dihydroindazol-5-yl)benzenesulfonamide?
4-methyl-N-(3-oxo-1,2-dihydroindazol-5-yl)benzenesulfonamide has a molecular weight of 303.34 g/mol, XLogP of 1.97, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3-oxo-1,2-dihydroindazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 169370724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).