3-(3-chlorophenyl)-N-(1,2-oxazol-3-ylmethylsulfonyl)propanamide

C13H13ClN2O4S — CID 71982404

IUPAC3-(3-chlorophenyl)-N-(1,2-oxazol-3-ylmethylsulfonyl)propanamide
SMILESO=C(CCc1cccc(Cl)c1)NS(=O)(=O)Cc1ccon1
InChIInChI=1S/C13H13ClN2O4S/c14-11-3-1-2-10(8-11)4-5-13(17)16-21(18,19)9-12-6-7-20-15-12/h1-3,6-8H,4-5,9H2,(H,16,17)
InChIKeySFHHVZLDZQABDS-UHFFFAOYSA-N
MW328.78 g/mol
LogP1.91
Rot. Bonds6

About 3-(3-chlorophenyl)-N-(1,2-oxazol-3-ylmethylsulfonyl)propanamide

3-(3-chlorophenyl)-N-(1,2-oxazol-3-ylmethylsulfonyl)propanamide (PubChem CID 71982404) has the molecular formula C13H13ClN2O4S and a molecular weight of 328.78 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-(1,2-oxazol-3-ylmethylsulfonyl)propanamide.

Molecular Properties

Compound Name3-(3-chlorophenyl)-N-(1,2-oxazol-3-ylmethylsulfonyl)propanamide
PubChem CID71982404
Molecular FormulaC13H13ClN2O4S
Molecular Weight328.78 g/mol
Exact Mass328.03
IUPAC Name3-(3-chlorophenyl)-N-(1,2-oxazol-3-ylmethylsulfonyl)propanamide
SMILESO=C(CCc1cccc(Cl)c1)NS(=O)(=O)Cc1ccon1
InChIInChI=1S/C13H13ClN2O4S/c14-11-3-1-2-10(8-11)4-5-13(17)16-21(18,19)9-12-6-7-20-15-12/h1-3,6-8H,4-5,9H2,(H,16,17)
InChIKeySFHHVZLDZQABDS-UHFFFAOYSA-N
XLogP1.91
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.78
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(3-chlorophenyl)-N-(1,2-oxazol-3-ylmethylsulfonyl)propanamide 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-(3-chlorophenyl)-N-(1,2-oxazol-3-ylmethylsulfonyl)propanamide?
The IUPAC name of 3-(3-chlorophenyl)-N-(1,2-oxazol-3-ylmethylsulfonyl)propanamide (CID 71982404) is 3-(3-chlorophenyl)-N-(1,2-oxazol-3-ylmethylsulfonyl)propanamide.
What is the SMILES notation for 3-(3-chlorophenyl)-N-(1,2-oxazol-3-ylmethylsulfonyl)propanamide?
The canonical SMILES for 3-(3-chlorophenyl)-N-(1,2-oxazol-3-ylmethylsulfonyl)propanamide is O=C(CCc1cccc(Cl)c1)NS(=O)(=O)Cc1ccon1.
What is the InChIKey of 3-(3-chlorophenyl)-N-(1,2-oxazol-3-ylmethylsulfonyl)propanamide?
The InChIKey is SFHHVZLDZQABDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O4S/c14-11-3-1-2-10(8-11)4-5-13(17)16-21(18,19)9-12-6-7-20-15-12/h1-3,6-8H,4-5,9H2,(H,16,17).
What are the key properties of 3-(3-chlorophenyl)-N-(1,2-oxazol-3-ylmethylsulfonyl)propanamide?
3-(3-chlorophenyl)-N-(1,2-oxazol-3-ylmethylsulfonyl)propanamide has a molecular weight of 328.78 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-N-(1,2-oxazol-3-ylmethylsulfonyl)propanamide is sourced from PubChem (CID 71982404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).