1-(2-chlorophenyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]methanesulfonamide

C13H15ClN2O2S2 — CID 110718502

IUPAC1-(2-chlorophenyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]methanesulfonamide
SMILESCc1ncsc1CCNS(=O)(=O)Cc1ccccc1Cl
InChIInChI=1S/C13H15ClN2O2S2/c1-10-13(19-9-15-10)6-7-16-20(17,18)8-11-4-2-3-5-12(11)14/h2-5,9,16H,6-8H2,1H3
InChIKeyPNHRPUUTHPHSCQ-UHFFFAOYSA-N
MW330.86 g/mol
LogP2.77
Rot. Bonds6

About 1-(2-chlorophenyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]methanesulfonamide

1-(2-chlorophenyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]methanesulfonamide (PubChem CID 110718502) has the molecular formula C13H15ClN2O2S2 and a molecular weight of 330.86 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]methanesulfonamide
PubChem CID110718502
Molecular FormulaC13H15ClN2O2S2
Molecular Weight330.86 g/mol
Exact Mass330.03
IUPAC Name1-(2-chlorophenyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]methanesulfonamide
SMILESCc1ncsc1CCNS(=O)(=O)Cc1ccccc1Cl
InChIInChI=1S/C13H15ClN2O2S2/c1-10-13(19-9-15-10)6-7-16-20(17,18)8-11-4-2-3-5-12(11)14/h2-5,9,16H,6-8H2,1H3
InChIKeyPNHRPUUTHPHSCQ-UHFFFAOYSA-N
XLogP2.77
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2-chlorophenyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]methanesulfonamide 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 1-(2-chlorophenyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]methanesulfonamide?
The IUPAC name of 1-(2-chlorophenyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]methanesulfonamide (CID 110718502) is 1-(2-chlorophenyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]methanesulfonamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]methanesulfonamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]methanesulfonamide is Cc1ncsc1CCNS(=O)(=O)Cc1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]methanesulfonamide?
The InChIKey is PNHRPUUTHPHSCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2S2/c1-10-13(19-9-15-10)6-7-16-20(17,18)8-11-4-2-3-5-12(11)14/h2-5,9,16H,6-8H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]methanesulfonamide?
1-(2-chlorophenyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]methanesulfonamide has a molecular weight of 330.86 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 110718502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).