5-chloro-N-(cyclopentylmethyl)-N,1-dimethylimidazole-4-sulfonamide

C11H18ClN3O2S — CID 47480373

IUPAC5-chloro-N-(cyclopentylmethyl)-N,1-dimethylimidazole-4-sulfonamide
SMILESCN(CC1CCCC1)S(=O)(=O)c1ncn(C)c1Cl
InChIInChI=1S/C11H18ClN3O2S/c1-14-8-13-11(10(14)12)18(16,17)15(2)7-9-5-3-4-6-9/h8-9H,3-7H2,1-2H3
InChIKeySTGKVRFPDAGSIB-UHFFFAOYSA-N
MW291.80 g/mol
LogP1.88
Rot. Bonds4

About 5-chloro-N-(cyclopentylmethyl)-N,1-dimethylimidazole-4-sulfonamide

5-chloro-N-(cyclopentylmethyl)-N,1-dimethylimidazole-4-sulfonamide (PubChem CID 47480373) has the molecular formula C11H18ClN3O2S and a molecular weight of 291.80 g/mol. Its IUPAC name is 5-chloro-N-(cyclopentylmethyl)-N,1-dimethylimidazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(cyclopentylmethyl)-N,1-dimethylimidazole-4-sulfonamide
PubChem CID47480373
Molecular FormulaC11H18ClN3O2S
Molecular Weight291.80 g/mol
Exact Mass291.08
IUPAC Name5-chloro-N-(cyclopentylmethyl)-N,1-dimethylimidazole-4-sulfonamide
SMILESCN(CC1CCCC1)S(=O)(=O)c1ncn(C)c1Cl
InChIInChI=1S/C11H18ClN3O2S/c1-14-8-13-11(10(14)12)18(16,17)15(2)7-9-5-3-4-6-9/h8-9H,3-7H2,1-2H3
InChIKeySTGKVRFPDAGSIB-UHFFFAOYSA-N
XLogP1.88
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.80
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-chloro-N-(cyclopentylmethyl)-N,1-dimethylimidazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(cyclopentylmethyl)-N,1-dimethylimidazole-4-sulfonamide?
The IUPAC name of 5-chloro-N-(cyclopentylmethyl)-N,1-dimethylimidazole-4-sulfonamide (CID 47480373) is 5-chloro-N-(cyclopentylmethyl)-N,1-dimethylimidazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-N-(cyclopentylmethyl)-N,1-dimethylimidazole-4-sulfonamide?
The canonical SMILES for 5-chloro-N-(cyclopentylmethyl)-N,1-dimethylimidazole-4-sulfonamide is CN(CC1CCCC1)S(=O)(=O)c1ncn(C)c1Cl.
What is the InChIKey of 5-chloro-N-(cyclopentylmethyl)-N,1-dimethylimidazole-4-sulfonamide?
The InChIKey is STGKVRFPDAGSIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O2S/c1-14-8-13-11(10(14)12)18(16,17)15(2)7-9-5-3-4-6-9/h8-9H,3-7H2,1-2H3.
What are the key properties of 5-chloro-N-(cyclopentylmethyl)-N,1-dimethylimidazole-4-sulfonamide?
5-chloro-N-(cyclopentylmethyl)-N,1-dimethylimidazole-4-sulfonamide has a molecular weight of 291.80 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(cyclopentylmethyl)-N,1-dimethylimidazole-4-sulfonamide is sourced from PubChem (CID 47480373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).