1-(4-chlorophenyl)-2-methyl-N-(1,3-thiazol-2-yl)propane-1-sulfonamide

C13H15ClN2O2S2 — CID 46226104

IUPAC1-(4-chlorophenyl)-2-methyl-N-(1,3-thiazol-2-yl)propane-1-sulfonamide
SMILESCC(C)C(c1ccc(Cl)cc1)S(=O)(=O)Nc1nccs1
InChIInChI=1S/C13H15ClN2O2S2/c1-9(2)12(10-3-5-11(14)6-4-10)20(17,18)16-13-15-7-8-19-13/h3-9,12H,1-2H3,(H,15,16)
InChIKeyJFTNWLAPKFTWOJ-UHFFFAOYSA-N
MW330.86 g/mol
LogP3.94
Rot. Bonds5

About 1-(4-chlorophenyl)-2-methyl-N-(1,3-thiazol-2-yl)propane-1-sulfonamide

1-(4-chlorophenyl)-2-methyl-N-(1,3-thiazol-2-yl)propane-1-sulfonamide (PubChem CID 46226104) has the molecular formula C13H15ClN2O2S2 and a molecular weight of 330.86 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-methyl-N-(1,3-thiazol-2-yl)propane-1-sulfonamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-methyl-N-(1,3-thiazol-2-yl)propane-1-sulfonamide
PubChem CID46226104
Molecular FormulaC13H15ClN2O2S2
Molecular Weight330.86 g/mol
Exact Mass330.03
IUPAC Name1-(4-chlorophenyl)-2-methyl-N-(1,3-thiazol-2-yl)propane-1-sulfonamide
SMILESCC(C)C(c1ccc(Cl)cc1)S(=O)(=O)Nc1nccs1
InChIInChI=1S/C13H15ClN2O2S2/c1-9(2)12(10-3-5-11(14)6-4-10)20(17,18)16-13-15-7-8-19-13/h3-9,12H,1-2H3,(H,15,16)
InChIKeyJFTNWLAPKFTWOJ-UHFFFAOYSA-N
XLogP3.94
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-chlorophenyl)-2-methyl-N-(1,3-thiazol-2-yl)propane-1-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 1-(4-chlorophenyl)-2-methyl-N-(1,3-thiazol-2-yl)propane-1-sulfonamide?
The IUPAC name of 1-(4-chlorophenyl)-2-methyl-N-(1,3-thiazol-2-yl)propane-1-sulfonamide (CID 46226104) is 1-(4-chlorophenyl)-2-methyl-N-(1,3-thiazol-2-yl)propane-1-sulfonamide.
What is the SMILES notation for 1-(4-chlorophenyl)-2-methyl-N-(1,3-thiazol-2-yl)propane-1-sulfonamide?
The canonical SMILES for 1-(4-chlorophenyl)-2-methyl-N-(1,3-thiazol-2-yl)propane-1-sulfonamide is CC(C)C(c1ccc(Cl)cc1)S(=O)(=O)Nc1nccs1.
What is the InChIKey of 1-(4-chlorophenyl)-2-methyl-N-(1,3-thiazol-2-yl)propane-1-sulfonamide?
The InChIKey is JFTNWLAPKFTWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2S2/c1-9(2)12(10-3-5-11(14)6-4-10)20(17,18)16-13-15-7-8-19-13/h3-9,12H,1-2H3,(H,15,16).
What are the key properties of 1-(4-chlorophenyl)-2-methyl-N-(1,3-thiazol-2-yl)propane-1-sulfonamide?
1-(4-chlorophenyl)-2-methyl-N-(1,3-thiazol-2-yl)propane-1-sulfonamide has a molecular weight of 330.86 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-methyl-N-(1,3-thiazol-2-yl)propane-1-sulfonamide is sourced from PubChem (CID 46226104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).