N-(4-chlorophenyl)sulfonyl-1-cyclohexyl-2-methylbenzimidazole-5-carboxamide

C21H22ClN3O3S — CID 110166680

IUPACN-(4-chlorophenyl)sulfonyl-1-cyclohexyl-2-methylbenzimidazole-5-carboxamide
SMILESCc1nc2cc(C(=O)NS(=O)(=O)c3ccc(Cl)cc3)ccc2n1C1CCCCC1
InChIInChI=1S/C21H22ClN3O3S/c1-14-23-19-13-15(7-12-20(19)25(14)17-5-3-2-4-6-17)21(26)24-29(27,28)18-10-8-16(22)9-11-18/h7-13,17H,2-6H2,1H3,(H,24,26)
InChIKeyYAYWQQNCPMLXJH-UHFFFAOYSA-N
MW431.95 g/mol
LogP4.62
Rot. Bonds4

About N-(4-chlorophenyl)sulfonyl-1-cyclohexyl-2-methylbenzimidazole-5-carboxamide

N-(4-chlorophenyl)sulfonyl-1-cyclohexyl-2-methylbenzimidazole-5-carboxamide (PubChem CID 110166680) has the molecular formula C21H22ClN3O3S and a molecular weight of 431.95 g/mol. Its IUPAC name is N-(4-chlorophenyl)sulfonyl-1-cyclohexyl-2-methylbenzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)sulfonyl-1-cyclohexyl-2-methylbenzimidazole-5-carboxamide
PubChem CID110166680
Molecular FormulaC21H22ClN3O3S
Molecular Weight431.95 g/mol
Exact Mass431.11
IUPAC NameN-(4-chlorophenyl)sulfonyl-1-cyclohexyl-2-methylbenzimidazole-5-carboxamide
SMILESCc1nc2cc(C(=O)NS(=O)(=O)c3ccc(Cl)cc3)ccc2n1C1CCCCC1
InChIInChI=1S/C21H22ClN3O3S/c1-14-23-19-13-15(7-12-20(19)25(14)17-5-3-2-4-6-17)21(26)24-29(27,28)18-10-8-16(22)9-11-18/h7-13,17H,2-6H2,1H3,(H,24,26)
InChIKeyYAYWQQNCPMLXJH-UHFFFAOYSA-N
XLogP4.62
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.95
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)sulfonyl-1-cyclohexyl-2-methylbenzimidazole-5-carboxamide?
The IUPAC name of N-(4-chlorophenyl)sulfonyl-1-cyclohexyl-2-methylbenzimidazole-5-carboxamide (CID 110166680) is N-(4-chlorophenyl)sulfonyl-1-cyclohexyl-2-methylbenzimidazole-5-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)sulfonyl-1-cyclohexyl-2-methylbenzimidazole-5-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)sulfonyl-1-cyclohexyl-2-methylbenzimidazole-5-carboxamide is Cc1nc2cc(C(=O)NS(=O)(=O)c3ccc(Cl)cc3)ccc2n1C1CCCCC1.
What is the InChIKey of N-(4-chlorophenyl)sulfonyl-1-cyclohexyl-2-methylbenzimidazole-5-carboxamide?
The InChIKey is YAYWQQNCPMLXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O3S/c1-14-23-19-13-15(7-12-20(19)25(14)17-5-3-2-4-6-17)21(26)24-29(27,28)18-10-8-16(22)9-11-18/h7-13,17H,2-6H2,1H3,(H,24,26).
What are the key properties of N-(4-chlorophenyl)sulfonyl-1-cyclohexyl-2-methylbenzimidazole-5-carboxamide?
N-(4-chlorophenyl)sulfonyl-1-cyclohexyl-2-methylbenzimidazole-5-carboxamide has a molecular weight of 431.95 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)sulfonyl-1-cyclohexyl-2-methylbenzimidazole-5-carboxamide is sourced from PubChem (CID 110166680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).