5-chloro-1-methyl-N,N-dipentylimidazole-4-sulfonamide

C14H26ClN3O2S — CID 61047067

IUPAC5-chloro-1-methyl-N,N-dipentylimidazole-4-sulfonamide
SMILESCCCCCN(CCCCC)S(=O)(=O)c1ncn(C)c1Cl
InChIInChI=1S/C14H26ClN3O2S/c1-4-6-8-10-18(11-9-7-5-2)21(19,20)14-13(15)17(3)12-16-14/h12H,4-11H2,1-3H3
InChIKeyKGWCRLUHCHUWAJ-UHFFFAOYSA-N
MW335.90 g/mol
LogP3.44
Rot. Bonds10

About 5-chloro-1-methyl-N,N-dipentylimidazole-4-sulfonamide

5-chloro-1-methyl-N,N-dipentylimidazole-4-sulfonamide (PubChem CID 61047067) has the molecular formula C14H26ClN3O2S and a molecular weight of 335.90 g/mol. Its IUPAC name is 5-chloro-1-methyl-N,N-dipentylimidazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-1-methyl-N,N-dipentylimidazole-4-sulfonamide
PubChem CID61047067
Molecular FormulaC14H26ClN3O2S
Molecular Weight335.90 g/mol
Exact Mass335.14
IUPAC Name5-chloro-1-methyl-N,N-dipentylimidazole-4-sulfonamide
SMILESCCCCCN(CCCCC)S(=O)(=O)c1ncn(C)c1Cl
InChIInChI=1S/C14H26ClN3O2S/c1-4-6-8-10-18(11-9-7-5-2)21(19,20)14-13(15)17(3)12-16-14/h12H,4-11H2,1-3H3
InChIKeyKGWCRLUHCHUWAJ-UHFFFAOYSA-N
XLogP3.44
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.90
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-chloro-1-methyl-N,N-dipentylimidazole-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

Related Compounds

5-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)-1-methylimidazole-4-sulfonamide
CID 61041408
5-chloro-N-ethyl-N,1-dimethylimidazole-4-sulfonamide
CID 43456033
5-chloro-N-(2-hydroxyethyl)-1-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
CID 61046480
methyl 2-[(5-chloro-1-methylimidazol-4-yl)sulfonyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 62957497
ethyl 2-[(5-chloro-1-methylimidazol-4-yl)sulfonyl-ethylamino]acetate
CID 54978459
5-chloro-N-(2-hydroxyethyl)-1-methyl-N-propan-2-ylimidazole-4-sulfonamide
CID 61053391
5-chloro-N-[(2R)-2-cyanopropyl]-N-ethyl-1-methylimidazole-4-sulfonamide
CID 93470193
5-chloro-N-[(2S)-2-cyanopropyl]-N-ethyl-1-methylimidazole-4-sulfonamide
CID 93470194
5-chloro-N,1-dimethyl-N-(4-methylpentan-2-yl)imidazole-4-sulfonamide
CID 60745358
5-chloro-N-(2-hydroxy-2-methylpropyl)-N,1-dimethylimidazole-4-sulfonamide
CID 79390045
5-chloro-1-methyl-N-(2-methylpropyl)-N-propan-2-ylimidazole-4-sulfonamide
CID 51892253
2-[(5-chloro-1-methylimidazol-4-yl)sulfonyl-methylamino]-N-ethylacetamide
CID 47256582

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-methyl-N,N-dipentylimidazole-4-sulfonamide?
The IUPAC name of 5-chloro-1-methyl-N,N-dipentylimidazole-4-sulfonamide (CID 61047067) is 5-chloro-1-methyl-N,N-dipentylimidazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-1-methyl-N,N-dipentylimidazole-4-sulfonamide?
The canonical SMILES for 5-chloro-1-methyl-N,N-dipentylimidazole-4-sulfonamide is CCCCCN(CCCCC)S(=O)(=O)c1ncn(C)c1Cl.
What is the InChIKey of 5-chloro-1-methyl-N,N-dipentylimidazole-4-sulfonamide?
The InChIKey is KGWCRLUHCHUWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26ClN3O2S/c1-4-6-8-10-18(11-9-7-5-2)21(19,20)14-13(15)17(3)12-16-14/h12H,4-11H2,1-3H3.
What are the key properties of 5-chloro-1-methyl-N,N-dipentylimidazole-4-sulfonamide?
5-chloro-1-methyl-N,N-dipentylimidazole-4-sulfonamide has a molecular weight of 335.90 g/mol, XLogP of 3.44, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-methyl-N,N-dipentylimidazole-4-sulfonamide is sourced from PubChem (CID 61047067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).