N-cyclopentyl-1-methylbenzimidazole-5-sulfonamide

C13H17N3O2S — CID 110760236

IUPACN-cyclopentyl-1-methylbenzimidazole-5-sulfonamide
SMILESCn1cnc2cc(S(=O)(=O)NC3CCCC3)ccc21
InChIInChI=1S/C13H17N3O2S/c1-16-9-14-12-8-11(6-7-13(12)16)19(17,18)15-10-4-2-3-5-10/h6-10,15H,2-5H2,1H3
InChIKeyTVMLJQMISJBPFH-UHFFFAOYSA-N
MW279.36 g/mol
LogP1.79
Rot. Bonds3

About N-cyclopentyl-1-methylbenzimidazole-5-sulfonamide

N-cyclopentyl-1-methylbenzimidazole-5-sulfonamide (PubChem CID 110760236) has the molecular formula C13H17N3O2S and a molecular weight of 279.36 g/mol. Its IUPAC name is N-cyclopentyl-1-methylbenzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN-cyclopentyl-1-methylbenzimidazole-5-sulfonamide
PubChem CID110760236
Molecular FormulaC13H17N3O2S
Molecular Weight279.36 g/mol
Exact Mass279.10
IUPAC NameN-cyclopentyl-1-methylbenzimidazole-5-sulfonamide
SMILESCn1cnc2cc(S(=O)(=O)NC3CCCC3)ccc21
InChIInChI=1S/C13H17N3O2S/c1-16-9-14-12-8-11(6-7-13(12)16)19(17,18)15-10-4-2-3-5-10/h6-10,15H,2-5H2,1H3
InChIKeyTVMLJQMISJBPFH-UHFFFAOYSA-N
XLogP1.79
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclooctyl-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
CID 39886497
5-(azepan-1-ylsulfonyl)-1-methylbenzimidazole
CID 110760298
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylbenzimidazole-5-sulfonamide
CID 110760353
N-(1-methylbenzimidazol-5-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 110728587
N-(5-chloro-2-methylphenyl)-1-methylbenzimidazole-5-sulfonamide
CID 110760324
N-cyclopentyl-1-methylbenzimidazole-5-carboxamide
CID 90980622
1-methyl-N-(2-phenylethyl)benzimidazole-5-sulfonamide
CID 110760271
(1-methylbenzimidazol-5-yl) cyclohexanesulfonate
CID 90538373
2-(1-methylbenzimidazol-5-yl)sulfonylethanamine
CID 116853429
N-cyclohexyl-3,4-difluorobenzenesulfonamide
CID 19681091
2-(1-methylbenzimidazol-5-yl)sulfonyl-3,4-dihydro-1H-isoquinoline
CID 110760272
N-cyclobutyl-2-(methylamino)pyridine-4-sulfonamide
CID 62414070

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-methylbenzimidazole-5-sulfonamide?
The IUPAC name of N-cyclopentyl-1-methylbenzimidazole-5-sulfonamide (CID 110760236) is N-cyclopentyl-1-methylbenzimidazole-5-sulfonamide.
What is the SMILES notation for N-cyclopentyl-1-methylbenzimidazole-5-sulfonamide?
The canonical SMILES for N-cyclopentyl-1-methylbenzimidazole-5-sulfonamide is Cn1cnc2cc(S(=O)(=O)NC3CCCC3)ccc21.
What is the InChIKey of N-cyclopentyl-1-methylbenzimidazole-5-sulfonamide?
The InChIKey is TVMLJQMISJBPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-16-9-14-12-8-11(6-7-13(12)16)19(17,18)15-10-4-2-3-5-10/h6-10,15H,2-5H2,1H3.
What are the key properties of N-cyclopentyl-1-methylbenzimidazole-5-sulfonamide?
N-cyclopentyl-1-methylbenzimidazole-5-sulfonamide has a molecular weight of 279.36 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-methylbenzimidazole-5-sulfonamide is sourced from PubChem (CID 110760236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).