3-chloro-N-methyl-N-[(2S)-2-(1,3-thiazol-2-yl)propyl]benzenesulfonamide

C13H15ClN2O2S2 — CID 129398496

IUPAC3-chloro-N-methyl-N-[(2S)-2-(1,3-thiazol-2-yl)propyl]benzenesulfonamide
SMILESC[C@@H](CN(C)S(=O)(=O)c1cccc(Cl)c1)c1nccs1
InChIInChI=1S/C13H15ClN2O2S2/c1-10(13-15-6-7-19-13)9-16(2)20(17,18)12-5-3-4-11(14)8-12/h3-8,10H,9H2,1-2H3/t10-/m0/s1
InChIKeyVRCOYXTWQKEHQN-JTQLQIEISA-N
MW330.86 g/mol
LogP3.22
Rot. Bonds5

About 3-chloro-N-methyl-N-[(2S)-2-(1,3-thiazol-2-yl)propyl]benzenesulfonamide

3-chloro-N-methyl-N-[(2S)-2-(1,3-thiazol-2-yl)propyl]benzenesulfonamide (PubChem CID 129398496) has the molecular formula C13H15ClN2O2S2 and a molecular weight of 330.86 g/mol. Its IUPAC name is 3-chloro-N-methyl-N-[(2S)-2-(1,3-thiazol-2-yl)propyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-methyl-N-[(2S)-2-(1,3-thiazol-2-yl)propyl]benzenesulfonamide
PubChem CID129398496
Molecular FormulaC13H15ClN2O2S2
Molecular Weight330.86 g/mol
Exact Mass330.03
IUPAC Name3-chloro-N-methyl-N-[(2S)-2-(1,3-thiazol-2-yl)propyl]benzenesulfonamide
SMILESC[C@@H](CN(C)S(=O)(=O)c1cccc(Cl)c1)c1nccs1
InChIInChI=1S/C13H15ClN2O2S2/c1-10(13-15-6-7-19-13)9-16(2)20(17,18)12-5-3-4-11(14)8-12/h3-8,10H,9H2,1-2H3/t10-/m0/s1
InChIKeyVRCOYXTWQKEHQN-JTQLQIEISA-N
XLogP3.22
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-chloro-N-methyl-N-[(2S)-2-(1,3-thiazol-2-yl)propyl]benzenesulfonamide 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 3-chloro-N-methyl-N-[(2S)-2-(1,3-thiazol-2-yl)propyl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-methyl-N-[(2S)-2-(1,3-thiazol-2-yl)propyl]benzenesulfonamide (CID 129398496) is 3-chloro-N-methyl-N-[(2S)-2-(1,3-thiazol-2-yl)propyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-methyl-N-[(2S)-2-(1,3-thiazol-2-yl)propyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-methyl-N-[(2S)-2-(1,3-thiazol-2-yl)propyl]benzenesulfonamide is C[C@@H](CN(C)S(=O)(=O)c1cccc(Cl)c1)c1nccs1.
What is the InChIKey of 3-chloro-N-methyl-N-[(2S)-2-(1,3-thiazol-2-yl)propyl]benzenesulfonamide?
The InChIKey is VRCOYXTWQKEHQN-JTQLQIEISA-N. The full InChI is InChI=1S/C13H15ClN2O2S2/c1-10(13-15-6-7-19-13)9-16(2)20(17,18)12-5-3-4-11(14)8-12/h3-8,10H,9H2,1-2H3/t10-/m0/s1.
What are the key properties of 3-chloro-N-methyl-N-[(2S)-2-(1,3-thiazol-2-yl)propyl]benzenesulfonamide?
3-chloro-N-methyl-N-[(2S)-2-(1,3-thiazol-2-yl)propyl]benzenesulfonamide has a molecular weight of 330.86 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-methyl-N-[(2S)-2-(1,3-thiazol-2-yl)propyl]benzenesulfonamide is sourced from PubChem (CID 129398496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).