N-(2-methyl-3H-benzimidazol-5-yl)-1H-pyrazole-4-sulfonamide

C11H11N5O2S — CID 61274454

IUPACN-(2-methyl-3H-benzimidazol-5-yl)-1H-pyrazole-4-sulfonamide
SMILESCc1nc2ccc(NS(=O)(=O)c3cn[nH]c3)cc2[nH]1
InChIInChI=1S/C11H11N5O2S/c1-7-14-10-3-2-8(4-11(10)15-7)16-19(17,18)9-5-12-13-6-9/h2-6,16H,1H3,(H,12,13)(H,14,15)
InChIKeyIBLJWXTVRAYCAZ-UHFFFAOYSA-N
MW277.31 g/mol
LogP1.40
Rot. Bonds3

About N-(2-methyl-3H-benzimidazol-5-yl)-1H-pyrazole-4-sulfonamide

N-(2-methyl-3H-benzimidazol-5-yl)-1H-pyrazole-4-sulfonamide (PubChem CID 61274454) has the molecular formula C11H11N5O2S and a molecular weight of 277.31 g/mol. Its IUPAC name is N-(2-methyl-3H-benzimidazol-5-yl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-methyl-3H-benzimidazol-5-yl)-1H-pyrazole-4-sulfonamide
PubChem CID61274454
Molecular FormulaC11H11N5O2S
Molecular Weight277.31 g/mol
Exact Mass277.06
IUPAC NameN-(2-methyl-3H-benzimidazol-5-yl)-1H-pyrazole-4-sulfonamide
SMILESCc1nc2ccc(NS(=O)(=O)c3cn[nH]c3)cc2[nH]1
InChIInChI=1S/C11H11N5O2S/c1-7-14-10-3-2-8(4-11(10)15-7)16-19(17,18)9-5-12-13-6-9/h2-6,16H,1H3,(H,12,13)(H,14,15)
InChIKeyIBLJWXTVRAYCAZ-UHFFFAOYSA-N
XLogP1.40
TPSA103.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(2-methyl-3H-benzimidazol-5-yl)pyrimidine-5-sulfonamide
CID 61053137
N-(2-methyl-3H-benzimidazol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 110724306
N-(2-methyl-3H-benzimidazol-5-yl)ethanesulfonamide
CID 64584356
N-(2-methyl-1,3-benzoxazol-5-yl)-1H-pyrazole-4-sulfonamide
CID 54937098
N-(2-methyl-3H-benzimidazol-5-yl)-1,3-benzodioxole-5-sulfonamide
CID 110724276
N-(4-tert-butylphenyl)-2-methyl-3H-benzimidazole-5-sulfonamide
CID 110760177
2,3-dimethyl-N-(2-methyl-3H-benzimidazol-5-yl)benzenesulfonamide
CID 142887451
2-bromo-N-(2-methyl-3H-benzimidazol-5-yl)benzenesulfonamide
CID 61215553
N-(4-methyl-3-nitrophenyl)-1H-pyrazole-4-sulfonamide
CID 54937260
1-bromo-N-(2-methyl-3H-benzimidazol-5-yl)methanesulfonamide
CID 83084672
N-(3,4-difluorophenyl)-1H-pyrazole-4-sulfonamide
CID 60912012
4-methyl-N-(2-methyl-3H-benzimidazol-5-yl)-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 61274456

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3H-benzimidazol-5-yl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(2-methyl-3H-benzimidazol-5-yl)-1H-pyrazole-4-sulfonamide (CID 61274454) is N-(2-methyl-3H-benzimidazol-5-yl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-methyl-3H-benzimidazol-5-yl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(2-methyl-3H-benzimidazol-5-yl)-1H-pyrazole-4-sulfonamide is Cc1nc2ccc(NS(=O)(=O)c3cn[nH]c3)cc2[nH]1.
What is the InChIKey of N-(2-methyl-3H-benzimidazol-5-yl)-1H-pyrazole-4-sulfonamide?
The InChIKey is IBLJWXTVRAYCAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O2S/c1-7-14-10-3-2-8(4-11(10)15-7)16-19(17,18)9-5-12-13-6-9/h2-6,16H,1H3,(H,12,13)(H,14,15).
What are the key properties of N-(2-methyl-3H-benzimidazol-5-yl)-1H-pyrazole-4-sulfonamide?
N-(2-methyl-3H-benzimidazol-5-yl)-1H-pyrazole-4-sulfonamide has a molecular weight of 277.31 g/mol, XLogP of 1.40, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3H-benzimidazol-5-yl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 61274454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).