N-[(3-chlorocyclohexyl)methyl]-2-methyl-1-propylimidazole-4-sulfonamide

C14H24ClN3O2S — CID 106136076

IUPACN-[(3-chlorocyclohexyl)methyl]-2-methyl-1-propylimidazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)NCC2CCCC(Cl)C2)nc1C
InChIInChI=1S/C14H24ClN3O2S/c1-3-7-18-10-14(17-11(18)2)21(19,20)16-9-12-5-4-6-13(15)8-12/h10,12-13,16H,3-9H2,1-2H3
InChIKeyREGDLEAUYQCWSN-UHFFFAOYSA-N
MW333.89 g/mol
LogP2.68
Rot. Bonds6

About N-[(3-chlorocyclohexyl)methyl]-2-methyl-1-propylimidazole-4-sulfonamide

N-[(3-chlorocyclohexyl)methyl]-2-methyl-1-propylimidazole-4-sulfonamide (PubChem CID 106136076) has the molecular formula C14H24ClN3O2S and a molecular weight of 333.89 g/mol. Its IUPAC name is N-[(3-chlorocyclohexyl)methyl]-2-methyl-1-propylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(3-chlorocyclohexyl)methyl]-2-methyl-1-propylimidazole-4-sulfonamide
PubChem CID106136076
Molecular FormulaC14H24ClN3O2S
Molecular Weight333.89 g/mol
Exact Mass333.13
IUPAC NameN-[(3-chlorocyclohexyl)methyl]-2-methyl-1-propylimidazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)NCC2CCCC(Cl)C2)nc1C
InChIInChI=1S/C14H24ClN3O2S/c1-3-7-18-10-14(17-11(18)2)21(19,20)16-9-12-5-4-6-13(15)8-12/h10,12-13,16H,3-9H2,1-2H3
InChIKeyREGDLEAUYQCWSN-UHFFFAOYSA-N
XLogP2.68
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.89
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(3-chlorocyclohexyl)methyl]-2-methyl-1-propylimidazole-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 N-[(3-chlorocyclohexyl)methyl]-2-methyl-1-propylimidazole-4-sulfonamide?
The IUPAC name of N-[(3-chlorocyclohexyl)methyl]-2-methyl-1-propylimidazole-4-sulfonamide (CID 106136076) is N-[(3-chlorocyclohexyl)methyl]-2-methyl-1-propylimidazole-4-sulfonamide.
What is the SMILES notation for N-[(3-chlorocyclohexyl)methyl]-2-methyl-1-propylimidazole-4-sulfonamide?
The canonical SMILES for N-[(3-chlorocyclohexyl)methyl]-2-methyl-1-propylimidazole-4-sulfonamide is CCCn1cc(S(=O)(=O)NCC2CCCC(Cl)C2)nc1C.
What is the InChIKey of N-[(3-chlorocyclohexyl)methyl]-2-methyl-1-propylimidazole-4-sulfonamide?
The InChIKey is REGDLEAUYQCWSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN3O2S/c1-3-7-18-10-14(17-11(18)2)21(19,20)16-9-12-5-4-6-13(15)8-12/h10,12-13,16H,3-9H2,1-2H3.
What are the key properties of N-[(3-chlorocyclohexyl)methyl]-2-methyl-1-propylimidazole-4-sulfonamide?
N-[(3-chlorocyclohexyl)methyl]-2-methyl-1-propylimidazole-4-sulfonamide has a molecular weight of 333.89 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorocyclohexyl)methyl]-2-methyl-1-propylimidazole-4-sulfonamide is sourced from PubChem (CID 106136076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).