N-(6-chloro-1H-benzimidazol-2-yl)-2-methyltriazole-4-sulfonamide

C10H9ClN6O2S — CID 167744275

IUPACN-(6-chloro-1H-benzimidazol-2-yl)-2-methyltriazole-4-sulfonamide
SMILESCn1ncc(S(=O)(=O)Nc2nc3ccc(Cl)cc3[nH]2)n1
InChIInChI=1S/C10H9ClN6O2S/c1-17-12-5-9(15-17)20(18,19)16-10-13-7-3-2-6(11)4-8(7)14-10/h2-5H,1H3,(H2,13,14,16)
InChIKeyZALOBDZHSZSSBY-UHFFFAOYSA-N
MW312.74 g/mol
LogP1.15
Rot. Bonds3

About N-(6-chloro-1H-benzimidazol-2-yl)-2-methyltriazole-4-sulfonamide

N-(6-chloro-1H-benzimidazol-2-yl)-2-methyltriazole-4-sulfonamide (PubChem CID 167744275) has the molecular formula C10H9ClN6O2S and a molecular weight of 312.74 g/mol. Its IUPAC name is N-(6-chloro-1H-benzimidazol-2-yl)-2-methyltriazole-4-sulfonamide.

Molecular Properties

Compound NameN-(6-chloro-1H-benzimidazol-2-yl)-2-methyltriazole-4-sulfonamide
PubChem CID167744275
Molecular FormulaC10H9ClN6O2S
Molecular Weight312.74 g/mol
Exact Mass312.02
IUPAC NameN-(6-chloro-1H-benzimidazol-2-yl)-2-methyltriazole-4-sulfonamide
SMILESCn1ncc(S(=O)(=O)Nc2nc3ccc(Cl)cc3[nH]2)n1
InChIInChI=1S/C10H9ClN6O2S/c1-17-12-5-9(15-17)20(18,19)16-10-13-7-3-2-6(11)4-8(7)14-10/h2-5H,1H3,(H2,13,14,16)
InChIKeyZALOBDZHSZSSBY-UHFFFAOYSA-N
XLogP1.15
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.74
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-tert-butyl-6-chloro-1H-benzimidazol-2-amine
CID 119086306
6-chloro-N-(5-chloro-2-methylphenyl)-1H-benzimidazol-2-amine
CID 82562664
1-N,4-N-bis(6-chloro-1H-benzimidazol-2-yl)benzene-1,4-diamine
CID 14688884
[(6-chloro-1H-benzimidazol-2-yl)amino] 1-methylbenzimidazole-5-carboxylate
CID 175194105
carbon dioxide;N-(6-chloro-1H-benzimidazol-2-yl)-1-methylbenzimidazol-2-amine
CID 176544013
6-chloro-N-(3,5-dichlorophenyl)-1H-benzimidazol-2-amine;hydrochloride
CID 24970552
3,7-dichloro-1H-quinoxalin-2-one
CID 131843116
6-chloro-N-[(4-chlorophenyl)methyl]-1H-benzimidazol-2-amine
CID 82562708
N-(1H-benzimidazol-2-yl)-1-ethyl-2-methylimidazole-4-sulfonamide
CID 63563710
N-[3-[(6-chloro-1H-benzimidazol-2-yl)amino]phenyl]acetamide
CID 82562667
6-chloro-N-[(2,4-difluorophenyl)methyl]-1H-benzimidazol-2-amine
CID 82564403
N-(1H-benzimidazol-2-yl)-5-bromo-2-chloropyridine-3-sulfonamide
CID 63563544

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-1H-benzimidazol-2-yl)-2-methyltriazole-4-sulfonamide?
The IUPAC name of N-(6-chloro-1H-benzimidazol-2-yl)-2-methyltriazole-4-sulfonamide (CID 167744275) is N-(6-chloro-1H-benzimidazol-2-yl)-2-methyltriazole-4-sulfonamide.
What is the SMILES notation for N-(6-chloro-1H-benzimidazol-2-yl)-2-methyltriazole-4-sulfonamide?
The canonical SMILES for N-(6-chloro-1H-benzimidazol-2-yl)-2-methyltriazole-4-sulfonamide is Cn1ncc(S(=O)(=O)Nc2nc3ccc(Cl)cc3[nH]2)n1.
What is the InChIKey of N-(6-chloro-1H-benzimidazol-2-yl)-2-methyltriazole-4-sulfonamide?
The InChIKey is ZALOBDZHSZSSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN6O2S/c1-17-12-5-9(15-17)20(18,19)16-10-13-7-3-2-6(11)4-8(7)14-10/h2-5H,1H3,(H2,13,14,16).
What are the key properties of N-(6-chloro-1H-benzimidazol-2-yl)-2-methyltriazole-4-sulfonamide?
N-(6-chloro-1H-benzimidazol-2-yl)-2-methyltriazole-4-sulfonamide has a molecular weight of 312.74 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-1H-benzimidazol-2-yl)-2-methyltriazole-4-sulfonamide is sourced from PubChem (CID 167744275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).