N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-4-methylbenzenesulfonamide

C16H13ClN2O3S — CID 112503109

IUPACN-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(-c3ccc(Cl)cc3)no2)cc1
InChIInChI=1S/C16H13ClN2O3S/c1-11-2-8-14(9-3-11)23(20,21)19-16-10-15(18-22-16)12-4-6-13(17)7-5-12/h2-10,19H,1H3
InChIKeyJWZXTEPKZMIQMK-UHFFFAOYSA-N
MW348.81 g/mol
LogP4.10
Rot. Bonds4

About N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-4-methylbenzenesulfonamide

N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-4-methylbenzenesulfonamide (PubChem CID 112503109) has the molecular formula C16H13ClN2O3S and a molecular weight of 348.81 g/mol. Its IUPAC name is N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-4-methylbenzenesulfonamide
PubChem CID112503109
Molecular FormulaC16H13ClN2O3S
Molecular Weight348.81 g/mol
Exact Mass348.03
IUPAC NameN-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(-c3ccc(Cl)cc3)no2)cc1
InChIInChI=1S/C16H13ClN2O3S/c1-11-2-8-14(9-3-11)23(20,21)19-16-10-15(18-22-16)12-4-6-13(17)7-5-12/h2-10,19H,1H3
InChIKeyJWZXTEPKZMIQMK-UHFFFAOYSA-N
XLogP4.10
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.81
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-4-methylbenzenesulfonamide 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 N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-4-methylbenzenesulfonamide (CID 112503109) is N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cc(-c3ccc(Cl)cc3)no2)cc1.
What is the InChIKey of N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-4-methylbenzenesulfonamide?
The InChIKey is JWZXTEPKZMIQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O3S/c1-11-2-8-14(9-3-11)23(20,21)19-16-10-15(18-22-16)12-4-6-13(17)7-5-12/h2-10,19H,1H3.
What are the key properties of N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-4-methylbenzenesulfonamide?
N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-4-methylbenzenesulfonamide has a molecular weight of 348.81 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 112503109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).