N-(2-methyl-4-pyrazol-1-ylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide

C17H15N5O3S — CID 119045851

IUPACN-(2-methyl-4-pyrazol-1-ylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
SMILESCc1cc(-n2cccn2)ccc1NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C17H15N5O3S/c1-11-9-12(22-8-2-7-18-22)3-5-14(11)21-26(24,25)13-4-6-15-16(10-13)20-17(23)19-15/h2-10,21H,1H3,(H2,19,20,23)
InChIKeyKCRFQZKEHLDTHC-UHFFFAOYSA-N
MW369.41 g/mol
LogP2.15
Rot. Bonds4

About N-(2-methyl-4-pyrazol-1-ylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide

N-(2-methyl-4-pyrazol-1-ylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide (PubChem CID 119045851) has the molecular formula C17H15N5O3S and a molecular weight of 369.41 g/mol. Its IUPAC name is N-(2-methyl-4-pyrazol-1-ylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-methyl-4-pyrazol-1-ylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
PubChem CID119045851
Molecular FormulaC17H15N5O3S
Molecular Weight369.41 g/mol
Exact Mass369.09
IUPAC NameN-(2-methyl-4-pyrazol-1-ylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
SMILESCc1cc(-n2cccn2)ccc1NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C17H15N5O3S/c1-11-9-12(22-8-2-7-18-22)3-5-14(11)21-26(24,25)13-4-6-15-16(10-13)20-17(23)19-15/h2-10,21H,1H3,(H2,19,20,23)
InChIKeyKCRFQZKEHLDTHC-UHFFFAOYSA-N
XLogP2.15
TPSA112.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.41
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-(2-methyl-4-pyrazol-1-ylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide 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

3,4-dimethyl-N-(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide
CID 20961997
N-(1-methylpyrazol-3-yl)-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
CID 25335432
N-(4-chloro-2-methylphenyl)-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
CID 52556593
N-(3-methylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 752841
N-(2,4-dimethoxyphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 7586552
N-(2,6-difluorophenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 8777082
N-(3-bromo-4-methylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110421824
N-(4-bromo-3-methylphenyl)-4-pyrazol-1-ylbenzenesulfonamide
CID 20914800
N-(5-chloro-2,4-dimethoxyphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 7602669
ethyl N-[2-[[2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzoyl]amino]ethyl]carbamate
CID 56558807
N-[2-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 25331426
N-(3-methylbutyl)-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
CID 26549596

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4-pyrazol-1-ylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The IUPAC name of N-(2-methyl-4-pyrazol-1-ylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide (CID 119045851) is N-(2-methyl-4-pyrazol-1-ylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide.
What is the SMILES notation for N-(2-methyl-4-pyrazol-1-ylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The canonical SMILES for N-(2-methyl-4-pyrazol-1-ylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide is Cc1cc(-n2cccn2)ccc1NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of N-(2-methyl-4-pyrazol-1-ylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The InChIKey is KCRFQZKEHLDTHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O3S/c1-11-9-12(22-8-2-7-18-22)3-5-14(11)21-26(24,25)13-4-6-15-16(10-13)20-17(23)19-15/h2-10,21H,1H3,(H2,19,20,23).
What are the key properties of N-(2-methyl-4-pyrazol-1-ylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
N-(2-methyl-4-pyrazol-1-ylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide has a molecular weight of 369.41 g/mol, XLogP of 2.15, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4-pyrazol-1-ylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide is sourced from PubChem (CID 119045851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).