2-chloro-N-(3-ethylcyclohexyl)-4-methyl-1,3-thiazole-5-sulfonamide

C12H19ClN2O2S2 — CID 64749608

IUPAC2-chloro-N-(3-ethylcyclohexyl)-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCCC1CCCC(NS(=O)(=O)c2sc(Cl)nc2C)C1
InChIInChI=1S/C12H19ClN2O2S2/c1-3-9-5-4-6-10(7-9)15-19(16,17)11-8(2)14-12(13)18-11/h9-10,15H,3-7H2,1-2H3
InChIKeyDZYRZNZVXFSQGT-UHFFFAOYSA-N
MW322.88 g/mol
LogP3.35
Rot. Bonds4

About 2-chloro-N-(3-ethylcyclohexyl)-4-methyl-1,3-thiazole-5-sulfonamide

2-chloro-N-(3-ethylcyclohexyl)-4-methyl-1,3-thiazole-5-sulfonamide (PubChem CID 64749608) has the molecular formula C12H19ClN2O2S2 and a molecular weight of 322.88 g/mol. Its IUPAC name is 2-chloro-N-(3-ethylcyclohexyl)-4-methyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(3-ethylcyclohexyl)-4-methyl-1,3-thiazole-5-sulfonamide
PubChem CID64749608
Molecular FormulaC12H19ClN2O2S2
Molecular Weight322.88 g/mol
Exact Mass322.06
IUPAC Name2-chloro-N-(3-ethylcyclohexyl)-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCCC1CCCC(NS(=O)(=O)c2sc(Cl)nc2C)C1
InChIInChI=1S/C12H19ClN2O2S2/c1-3-9-5-4-6-10(7-9)15-19(16,17)11-8(2)14-12(13)18-11/h9-10,15H,3-7H2,1-2H3
InChIKeyDZYRZNZVXFSQGT-UHFFFAOYSA-N
XLogP3.35
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.88
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-chloro-N-(3-ethylcyclohexyl)-4-methyl-1,3-thiazole-5-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 2-chloro-N-(3-ethylcyclohexyl)-4-methyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-(3-ethylcyclohexyl)-4-methyl-1,3-thiazole-5-sulfonamide (CID 64749608) is 2-chloro-N-(3-ethylcyclohexyl)-4-methyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-(3-ethylcyclohexyl)-4-methyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-(3-ethylcyclohexyl)-4-methyl-1,3-thiazole-5-sulfonamide is CCC1CCCC(NS(=O)(=O)c2sc(Cl)nc2C)C1.
What is the InChIKey of 2-chloro-N-(3-ethylcyclohexyl)-4-methyl-1,3-thiazole-5-sulfonamide?
The InChIKey is DZYRZNZVXFSQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O2S2/c1-3-9-5-4-6-10(7-9)15-19(16,17)11-8(2)14-12(13)18-11/h9-10,15H,3-7H2,1-2H3.
What are the key properties of 2-chloro-N-(3-ethylcyclohexyl)-4-methyl-1,3-thiazole-5-sulfonamide?
2-chloro-N-(3-ethylcyclohexyl)-4-methyl-1,3-thiazole-5-sulfonamide has a molecular weight of 322.88 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-ethylcyclohexyl)-4-methyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 64749608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).