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

C11H17ClN2O2S2 — CID 60749621

IUPAC2-chloro-N-(cyclohexylmethyl)-N-methyl-1,3-thiazole-5-sulfonamide
SMILESCN(CC1CCCCC1)S(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C11H17ClN2O2S2/c1-14(8-9-5-3-2-4-6-9)18(15,16)10-7-13-11(12)17-10/h7,9H,2-6,8H2,1H3
InChIKeyLPPNTZXWOAZVPL-UHFFFAOYSA-N
MW308.86 g/mol
LogP3.00
Rot. Bonds4

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

2-chloro-N-(cyclohexylmethyl)-N-methyl-1,3-thiazole-5-sulfonamide (PubChem CID 60749621) has the molecular formula C11H17ClN2O2S2 and a molecular weight of 308.86 g/mol. Its IUPAC name is 2-chloro-N-(cyclohexylmethyl)-N-methyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(cyclohexylmethyl)-N-methyl-1,3-thiazole-5-sulfonamide
PubChem CID60749621
Molecular FormulaC11H17ClN2O2S2
Molecular Weight308.86 g/mol
Exact Mass308.04
IUPAC Name2-chloro-N-(cyclohexylmethyl)-N-methyl-1,3-thiazole-5-sulfonamide
SMILESCN(CC1CCCCC1)S(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C11H17ClN2O2S2/c1-14(8-9-5-3-2-4-6-9)18(15,16)10-7-13-11(12)17-10/h7,9H,2-6,8H2,1H3
InChIKeyLPPNTZXWOAZVPL-UHFFFAOYSA-N
XLogP3.00
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.86
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-chloro-N-(cyclohexylmethyl)-N-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-(cyclohexylmethyl)-N-methyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-(cyclohexylmethyl)-N-methyl-1,3-thiazole-5-sulfonamide (CID 60749621) is 2-chloro-N-(cyclohexylmethyl)-N-methyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-(cyclohexylmethyl)-N-methyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-(cyclohexylmethyl)-N-methyl-1,3-thiazole-5-sulfonamide is CN(CC1CCCCC1)S(=O)(=O)c1cnc(Cl)s1.
What is the InChIKey of 2-chloro-N-(cyclohexylmethyl)-N-methyl-1,3-thiazole-5-sulfonamide?
The InChIKey is LPPNTZXWOAZVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O2S2/c1-14(8-9-5-3-2-4-6-9)18(15,16)10-7-13-11(12)17-10/h7,9H,2-6,8H2,1H3.
What are the key properties of 2-chloro-N-(cyclohexylmethyl)-N-methyl-1,3-thiazole-5-sulfonamide?
2-chloro-N-(cyclohexylmethyl)-N-methyl-1,3-thiazole-5-sulfonamide has a molecular weight of 308.86 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(cyclohexylmethyl)-N-methyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 60749621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).