N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-4-methylbenzenesulfonamide

C18H17N5O2S — CID 2426865

IUPACN-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(C)nn2-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C18H17N5O2S/c1-12-7-9-14(10-8-12)26(24,25)22-17-11-13(2)21-23(17)18-19-15-5-3-4-6-16(15)20-18/h3-11,22H,1-2H3,(H,19,20)
InChIKeyDDMJUDKHPCKFDV-UHFFFAOYSA-N
MW367.43 g/mol
LogP3.17
Rot. Bonds4

About N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-4-methylbenzenesulfonamide

N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-4-methylbenzenesulfonamide (PubChem CID 2426865) has the molecular formula C18H17N5O2S and a molecular weight of 367.43 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-4-methylbenzenesulfonamide
PubChem CID2426865
Molecular FormulaC18H17N5O2S
Molecular Weight367.43 g/mol
Exact Mass367.11
IUPAC NameN-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(C)nn2-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C18H17N5O2S/c1-12-7-9-14(10-8-12)26(24,25)22-17-11-13(2)21-23(17)18-19-15-5-3-4-6-16(15)20-18/h3-11,22H,1-2H3,(H,19,20)
InChIKeyDDMJUDKHPCKFDV-UHFFFAOYSA-N
XLogP3.17
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(azepan-1-ylsulfonyl)-N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]benzamide
CID 4019453
N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-3-cyclopentylpropanamide
CID 4013933
N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-3-bromobenzamide
CID 3343842
N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-2,4-difluorobenzamide
CID 5042148
N-(2-benzyl-5-methylpyrazol-3-yl)-4-methylbenzenesulfonamide
CID 13219968
4-methoxy-N-[5-methyl-2-(4-methylquinolin-2-yl)pyrazol-3-yl]benzenesulfonamide
CID 108783992
4-[(5-methyl-2-quinolin-2-ylpyrazol-3-yl)sulfamoyl]benzoic acid
CID 108783886
N-[4-amino-5-(1H-benzimidazol-2-yl)pyrimidin-2-yl]-4-methylbenzenesulfonamide
CID 139233189
2-[5-(4-methylphenyl)tetrazol-1-yl]-1H-benzimidazole
CID 14174648
N-[5-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]-4-methylbenzenesulfonamide
CID 75458531
N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-4-methylbenzenesulfonamide
CID 36591359
4-tert-butyl-N-(2-isoquinolin-1-yl-5-methylpyrazol-3-yl)benzenesulfonamide
CID 71731689

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-4-methylbenzenesulfonamide (CID 2426865) is N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cc(C)nn2-c2nc3ccccc3[nH]2)cc1.
What is the InChIKey of N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-4-methylbenzenesulfonamide?
The InChIKey is DDMJUDKHPCKFDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2S/c1-12-7-9-14(10-8-12)26(24,25)22-17-11-13(2)21-23(17)18-19-15-5-3-4-6-16(15)20-18/h3-11,22H,1-2H3,(H,19,20).
What are the key properties of N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-4-methylbenzenesulfonamide?
N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-4-methylbenzenesulfonamide has a molecular weight of 367.43 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 2426865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).