2-methyl-5-(1H-pyrazol-4-ylmethylsulfamoyl)benzamide

C12H14N4O3S — CID 61003075

IUPAC2-methyl-5-(1H-pyrazol-4-ylmethylsulfamoyl)benzamide
SMILESCc1ccc(S(=O)(=O)NCc2cn[nH]c2)cc1C(N)=O
InChIInChI=1S/C12H14N4O3S/c1-8-2-3-10(4-11(8)12(13)17)20(18,19)16-7-9-5-14-15-6-9/h2-6,16H,7H2,1H3,(H2,13,17)(H,14,15)
InChIKeyHBDAXQPBPDZFQM-UHFFFAOYSA-N
MW294.34 g/mol
LogP0.30
Rot. Bonds5

About 2-methyl-5-(1H-pyrazol-4-ylmethylsulfamoyl)benzamide

2-methyl-5-(1H-pyrazol-4-ylmethylsulfamoyl)benzamide (PubChem CID 61003075) has the molecular formula C12H14N4O3S and a molecular weight of 294.34 g/mol. Its IUPAC name is 2-methyl-5-(1H-pyrazol-4-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound Name2-methyl-5-(1H-pyrazol-4-ylmethylsulfamoyl)benzamide
PubChem CID61003075
Molecular FormulaC12H14N4O3S
Molecular Weight294.34 g/mol
Exact Mass294.08
IUPAC Name2-methyl-5-(1H-pyrazol-4-ylmethylsulfamoyl)benzamide
SMILESCc1ccc(S(=O)(=O)NCc2cn[nH]c2)cc1C(N)=O
InChIInChI=1S/C12H14N4O3S/c1-8-2-3-10(4-11(8)12(13)17)20(18,19)16-7-9-5-14-15-6-9/h2-6,16H,7H2,1H3,(H2,13,17)(H,14,15)
InChIKeyHBDAXQPBPDZFQM-UHFFFAOYSA-N
XLogP0.30
TPSA117.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-methyl-5-(1H-pyrazol-4-ylmethylsulfamoyl)benzamide 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

2-methyl-5-[(4-methylphenyl)methylsulfamoyl]benzamide
CID 3439524
4-amino-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 61126765
3-methyl-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 54897411
2-amino-3,6-dimethyl-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 103171290
3-(aminomethyl)-4-methoxy-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 106015927
4-(1-aminoethyl)-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 54982271
5-[(3,3-difluoro-2-hydroxypropyl)sulfamoyl]-2-methylbenzamide
CID 103836901
4-iodo-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 54895455
5-[(2-fluorophenyl)methylsulfamoyl]-2-methylbenzamide
CID 34033824
5-(ethylsulfamoyl)-2-methyl-N-(1H-pyrazol-4-yl)benzamide
CID 46412123
5-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]-2-methylbenzamide
CID 104858816
4-(ethylamino)-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 55042991

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(1H-pyrazol-4-ylmethylsulfamoyl)benzamide?
The IUPAC name of 2-methyl-5-(1H-pyrazol-4-ylmethylsulfamoyl)benzamide (CID 61003075) is 2-methyl-5-(1H-pyrazol-4-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for 2-methyl-5-(1H-pyrazol-4-ylmethylsulfamoyl)benzamide?
The canonical SMILES for 2-methyl-5-(1H-pyrazol-4-ylmethylsulfamoyl)benzamide is Cc1ccc(S(=O)(=O)NCc2cn[nH]c2)cc1C(N)=O.
What is the InChIKey of 2-methyl-5-(1H-pyrazol-4-ylmethylsulfamoyl)benzamide?
The InChIKey is HBDAXQPBPDZFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3S/c1-8-2-3-10(4-11(8)12(13)17)20(18,19)16-7-9-5-14-15-6-9/h2-6,16H,7H2,1H3,(H2,13,17)(H,14,15).
What are the key properties of 2-methyl-5-(1H-pyrazol-4-ylmethylsulfamoyl)benzamide?
2-methyl-5-(1H-pyrazol-4-ylmethylsulfamoyl)benzamide has a molecular weight of 294.34 g/mol, XLogP of 0.30, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(1H-pyrazol-4-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 61003075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).