5-(4-chlorophenyl)-2-methyl-4-(1,3-oxazol-2-yl)benzenesulfonamide

C16H13ClN2O3S — CID 67622969

IUPAC5-(4-chlorophenyl)-2-methyl-4-(1,3-oxazol-2-yl)benzenesulfonamide
SMILESCc1cc(-c2ncco2)c(-c2ccc(Cl)cc2)cc1S(N)(=O)=O
InChIInChI=1S/C16H13ClN2O3S/c1-10-8-14(16-19-6-7-22-16)13(9-15(10)23(18,20)21)11-2-4-12(17)5-3-11/h2-9H,1H3,(H2,18,20,21)
InChIKeyNJZTWXIZIUDYQW-UHFFFAOYSA-N
MW348.81 g/mol
LogP3.62
Rot. Bonds3

About 5-(4-chlorophenyl)-2-methyl-4-(1,3-oxazol-2-yl)benzenesulfonamide

5-(4-chlorophenyl)-2-methyl-4-(1,3-oxazol-2-yl)benzenesulfonamide (PubChem CID 67622969) has the molecular formula C16H13ClN2O3S and a molecular weight of 348.81 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-2-methyl-4-(1,3-oxazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-2-methyl-4-(1,3-oxazol-2-yl)benzenesulfonamide
PubChem CID67622969
Molecular FormulaC16H13ClN2O3S
Molecular Weight348.81 g/mol
Exact Mass348.03
IUPAC Name5-(4-chlorophenyl)-2-methyl-4-(1,3-oxazol-2-yl)benzenesulfonamide
SMILESCc1cc(-c2ncco2)c(-c2ccc(Cl)cc2)cc1S(N)(=O)=O
InChIInChI=1S/C16H13ClN2O3S/c1-10-8-14(16-19-6-7-22-16)13(9-15(10)23(18,20)21)11-2-4-12(17)5-3-11/h2-9H,1H3,(H2,18,20,21)
InChIKeyNJZTWXIZIUDYQW-UHFFFAOYSA-N
XLogP3.62
TPSA86.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.81
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(4-chlorophenyl)-2-methyl-4-(1,3-oxazol-2-yl)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 5-(4-chlorophenyl)-2-methyl-4-(1,3-oxazol-2-yl)benzenesulfonamide?
The IUPAC name of 5-(4-chlorophenyl)-2-methyl-4-(1,3-oxazol-2-yl)benzenesulfonamide (CID 67622969) is 5-(4-chlorophenyl)-2-methyl-4-(1,3-oxazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 5-(4-chlorophenyl)-2-methyl-4-(1,3-oxazol-2-yl)benzenesulfonamide?
The canonical SMILES for 5-(4-chlorophenyl)-2-methyl-4-(1,3-oxazol-2-yl)benzenesulfonamide is Cc1cc(-c2ncco2)c(-c2ccc(Cl)cc2)cc1S(N)(=O)=O.
What is the InChIKey of 5-(4-chlorophenyl)-2-methyl-4-(1,3-oxazol-2-yl)benzenesulfonamide?
The InChIKey is NJZTWXIZIUDYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O3S/c1-10-8-14(16-19-6-7-22-16)13(9-15(10)23(18,20)21)11-2-4-12(17)5-3-11/h2-9H,1H3,(H2,18,20,21).
What are the key properties of 5-(4-chlorophenyl)-2-methyl-4-(1,3-oxazol-2-yl)benzenesulfonamide?
5-(4-chlorophenyl)-2-methyl-4-(1,3-oxazol-2-yl)benzenesulfonamide has a molecular weight of 348.81 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-2-methyl-4-(1,3-oxazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 67622969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).