N-(1-cyclohexylbenzimidazol-5-yl)butane-1-sulfonamide

C17H25N3O2S — CID 2229966

IUPACN-(1-cyclohexylbenzimidazol-5-yl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1ccc2c(c1)ncn2C1CCCCC1
InChIInChI=1S/C17H25N3O2S/c1-2-3-11-23(21,22)19-14-9-10-17-16(12-14)18-13-20(17)15-7-5-4-6-8-15/h9-10,12-13,15,19H,2-8,11H2,1H3
InChIKeyKLEMSSSVSLEGOD-UHFFFAOYSA-N
MW335.47 g/mol
LogP4.08
Rot. Bonds6

About N-(1-cyclohexylbenzimidazol-5-yl)butane-1-sulfonamide

N-(1-cyclohexylbenzimidazol-5-yl)butane-1-sulfonamide (PubChem CID 2229966) has the molecular formula C17H25N3O2S and a molecular weight of 335.47 g/mol. Its IUPAC name is N-(1-cyclohexylbenzimidazol-5-yl)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(1-cyclohexylbenzimidazol-5-yl)butane-1-sulfonamide
PubChem CID2229966
Molecular FormulaC17H25N3O2S
Molecular Weight335.47 g/mol
Exact Mass335.17
IUPAC NameN-(1-cyclohexylbenzimidazol-5-yl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1ccc2c(c1)ncn2C1CCCCC1
InChIInChI=1S/C17H25N3O2S/c1-2-3-11-23(21,22)19-14-9-10-17-16(12-14)18-13-20(17)15-7-5-4-6-8-15/h9-10,12-13,15,19H,2-8,11H2,1H3
InChIKeyKLEMSSSVSLEGOD-UHFFFAOYSA-N
XLogP4.08
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexylbenzimidazol-5-yl)butane-1-sulfonamide?
The IUPAC name of N-(1-cyclohexylbenzimidazol-5-yl)butane-1-sulfonamide (CID 2229966) is N-(1-cyclohexylbenzimidazol-5-yl)butane-1-sulfonamide.
What is the SMILES notation for N-(1-cyclohexylbenzimidazol-5-yl)butane-1-sulfonamide?
The canonical SMILES for N-(1-cyclohexylbenzimidazol-5-yl)butane-1-sulfonamide is CCCCS(=O)(=O)Nc1ccc2c(c1)ncn2C1CCCCC1.
What is the InChIKey of N-(1-cyclohexylbenzimidazol-5-yl)butane-1-sulfonamide?
The InChIKey is KLEMSSSVSLEGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2S/c1-2-3-11-23(21,22)19-14-9-10-17-16(12-14)18-13-20(17)15-7-5-4-6-8-15/h9-10,12-13,15,19H,2-8,11H2,1H3.
What are the key properties of N-(1-cyclohexylbenzimidazol-5-yl)butane-1-sulfonamide?
N-(1-cyclohexylbenzimidazol-5-yl)butane-1-sulfonamide has a molecular weight of 335.47 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexylbenzimidazol-5-yl)butane-1-sulfonamide is sourced from PubChem (CID 2229966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).