N-[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]benzenesulfonamide

C18H17N5O2S — CID 135750786

IUPACN-[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]benzenesulfonamide
SMILESCc1cc2nc(-c3cc(NS(=O)(=O)c4ccccc4)n[nH]3)[nH]c2cc1C
InChIInChI=1S/C18H17N5O2S/c1-11-8-14-15(9-12(11)2)20-18(19-14)16-10-17(22-21-16)23-26(24,25)13-6-4-3-5-7-13/h3-10H,1-2H3,(H,19,20)(H2,21,22,23)
InChIKeyNRHWJFSKRXDVKX-UHFFFAOYSA-N
MW367.43 g/mol
LogP3.37
Rot. Bonds4

About N-[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]benzenesulfonamide

N-[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]benzenesulfonamide (PubChem CID 135750786) has the molecular formula C18H17N5O2S and a molecular weight of 367.43 g/mol. Its IUPAC name is N-[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]benzenesulfonamide
PubChem CID135750786
Molecular FormulaC18H17N5O2S
Molecular Weight367.43 g/mol
Exact Mass367.11
IUPAC NameN-[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]benzenesulfonamide
SMILESCc1cc2nc(-c3cc(NS(=O)(=O)c4ccccc4)n[nH]3)[nH]c2cc1C
InChIInChI=1S/C18H17N5O2S/c1-11-8-14-15(9-12(11)2)20-18(19-14)16-10-17(22-21-16)23-26(24,25)13-6-4-3-5-7-13/h3-10H,1-2H3,(H,19,20)(H2,21,22,23)
InChIKeyNRHWJFSKRXDVKX-UHFFFAOYSA-N
XLogP3.37
TPSA103.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-tert-butyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 3288654
2-(2,3-dichlorophenyl)-N-[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]acetamide
CID 135750659
N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]benzenesulfonamide
CID 100580925
5,6-dimethyl-2-[3-(2-phenylethylsulfanyl)-1H-pyrazol-5-yl]-1H-benzimidazole
CID 135804609
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]acetamide
CID 155161491
N-[5-(7,7-dimethyl-6-oxo-1,5-dihydropyrrolo[2,3-f]benzimidazol-2-yl)-1H-pyrazol-4-yl]benzenesulfonamide
CID 135501803
N-(2,4-dimethylphenyl)-2-phenyl-3H-benzimidazole-5-sulfonamide
CID 22430112
5,6-dimethyl-2-[4-(1,2,2-triphenylethenyl)phenyl]-1H-benzimidazole
CID 139202619
N-(2-chlorophenyl)-2-(6-methyl-2-pyridinyl)-3H-benzimidazole-5-sulfonamide
CID 70573433
N-(2-pyridin-3-yl-3H-benzimidazol-5-yl)benzenesulfonamide
CID 53370749
N-[5-(3,4-dimethylanilino)-2-pyridinyl]benzenesulfonamide
CID 113032141
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3-chloro-4-methylbenzamide
CID 164954521

Frequently Asked Questions

What is the IUPAC name of N-[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]benzenesulfonamide?
The IUPAC name of N-[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]benzenesulfonamide (CID 135750786) is N-[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]benzenesulfonamide.
What is the SMILES notation for N-[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]benzenesulfonamide?
The canonical SMILES for N-[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]benzenesulfonamide is Cc1cc2nc(-c3cc(NS(=O)(=O)c4ccccc4)n[nH]3)[nH]c2cc1C.
What is the InChIKey of N-[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]benzenesulfonamide?
The InChIKey is NRHWJFSKRXDVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2S/c1-11-8-14-15(9-12(11)2)20-18(19-14)16-10-17(22-21-16)23-26(24,25)13-6-4-3-5-7-13/h3-10H,1-2H3,(H,19,20)(H2,21,22,23).
What are the key properties of N-[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]benzenesulfonamide?
N-[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]benzenesulfonamide has a molecular weight of 367.43 g/mol, XLogP of 3.37, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 135750786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).