3-(4-chlorophenyl)sulfonyl-N-(1,3-thiazol-2-yl)propanamide

C12H11ClN2O3S2 — CID 7254312

IUPAC3-(4-chlorophenyl)sulfonyl-N-(1,3-thiazol-2-yl)propanamide
SMILESO=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1nccs1
InChIInChI=1S/C12H11ClN2O3S2/c13-9-1-3-10(4-2-9)20(17,18)8-5-11(16)15-12-14-6-7-19-12/h1-4,6-7H,5,8H2,(H,14,15,16)
InChIKeySNMIVBYDOSLZMR-UHFFFAOYSA-N
MW330.82 g/mol
LogP2.60
Rot. Bonds5

About 3-(4-chlorophenyl)sulfonyl-N-(1,3-thiazol-2-yl)propanamide

3-(4-chlorophenyl)sulfonyl-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 7254312) has the molecular formula C12H11ClN2O3S2 and a molecular weight of 330.82 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfonyl-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfonyl-N-(1,3-thiazol-2-yl)propanamide
PubChem CID7254312
Molecular FormulaC12H11ClN2O3S2
Molecular Weight330.82 g/mol
Exact Mass329.99
IUPAC Name3-(4-chlorophenyl)sulfonyl-N-(1,3-thiazol-2-yl)propanamide
SMILESO=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1nccs1
InChIInChI=1S/C12H11ClN2O3S2/c13-9-1-3-10(4-2-9)20(17,18)8-5-11(16)15-12-14-6-7-19-12/h1-4,6-7H,5,8H2,(H,14,15,16)
InChIKeySNMIVBYDOSLZMR-UHFFFAOYSA-N
XLogP2.60
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfonyl-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-(4-chlorophenyl)sulfonyl-N-(1,3-thiazol-2-yl)propanamide (CID 7254312) is 3-(4-chlorophenyl)sulfonyl-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)sulfonyl-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-(4-chlorophenyl)sulfonyl-N-(1,3-thiazol-2-yl)propanamide is O=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1nccs1.
What is the InChIKey of 3-(4-chlorophenyl)sulfonyl-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is SNMIVBYDOSLZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O3S2/c13-9-1-3-10(4-2-9)20(17,18)8-5-11(16)15-12-14-6-7-19-12/h1-4,6-7H,5,8H2,(H,14,15,16).
What are the key properties of 3-(4-chlorophenyl)sulfonyl-N-(1,3-thiazol-2-yl)propanamide?
3-(4-chlorophenyl)sulfonyl-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 330.82 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfonyl-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 7254312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).