4-[3-(2-methylphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide

C16H14N2O4S — CID 10336743

IUPAC4-[3-(2-methylphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide
SMILESCc1ccccc1-n1c(-c2ccc(S(N)(=O)=O)cc2)coc1=O
InChIInChI=1S/C16H14N2O4S/c1-11-4-2-3-5-14(11)18-15(10-22-16(18)19)12-6-8-13(9-7-12)23(17,20)21/h2-10H,1H3,(H2,17,20,21)
InChIKeyVUELNKHOACUCIS-UHFFFAOYSA-N
MW330.37 g/mol
LogP2.05
Rot. Bonds3

About 4-[3-(2-methylphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide

4-[3-(2-methylphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide (PubChem CID 10336743) has the molecular formula C16H14N2O4S and a molecular weight of 330.37 g/mol. Its IUPAC name is 4-[3-(2-methylphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-(2-methylphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide
PubChem CID10336743
Molecular FormulaC16H14N2O4S
Molecular Weight330.37 g/mol
Exact Mass330.07
IUPAC Name4-[3-(2-methylphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide
SMILESCc1ccccc1-n1c(-c2ccc(S(N)(=O)=O)cc2)coc1=O
InChIInChI=1S/C16H14N2O4S/c1-11-4-2-3-5-14(11)18-15(10-22-16(18)19)12-6-8-13(9-7-12)23(17,20)21/h2-10H,1H3,(H2,17,20,21)
InChIKeyVUELNKHOACUCIS-UHFFFAOYSA-N
XLogP2.05
TPSA95.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-Fluoro-phenyl)-4-(4-methanesulfonyl-phenyl)-3H-oxazol-2-one
CID 9905676
3-(4-Ethyl-phenyl)-4-(4-methanesulfonyl-phenyl)-3H-oxazol-2-one
CID 9949984
4-(2-Oxo-3-p-tolyl-2,3-dihydro-oxazol-4-yl)-benzenesulfonamide
CID 10544389
4-(2-Oxo-3-m-tolyl-2,3-dihydro-oxazol-4-yl)-benzenesulfonamide
CID 10711484
4-(4-Methanesulfonyl-phenyl)-3-p-tolyl-3H-oxazol-2-one
CID 10758721
4-(5-Methyl-2-oxo-3-m-tolyl-2,3-dihydro-oxazol-4-yl)-benzenesulfonamide
CID 10831290
4-[3-(4-Fluoro-phenyl)-5-methyl-2-oxo-2,3-dihydro-oxazol-4-yl]-benzenesulfonamide
CID 10831559
Ethyl (4-{[(4-methylphenyl)sulfonyl]amino}phenyl)carbamate
CID 896649
3-(2-Fluoro-phenyl)-4-(4-methanesulfonyl-phenyl)-3H-oxazol-2-one
CID 10688075
4-[3-(2-Fluoro-phenyl)-2-oxo-2,3-dihydro-oxazol-4-yl]-benzenesulfonamide
CID 9797752
4-(2-Oxo-3-phenyl-1,3-oxazol-4-yl)benzenesulfonamide
CID 9818359
4-[3-(4-Fluoro-phenyl)-2-oxo-2,3-dihydro-oxazol-4-yl]-benzenesulfonamide
CID 9884096

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-methylphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide?
The IUPAC name of 4-[3-(2-methylphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide (CID 10336743) is 4-[3-(2-methylphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-[3-(2-methylphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide?
The canonical SMILES for 4-[3-(2-methylphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide is Cc1ccccc1-n1c(-c2ccc(S(N)(=O)=O)cc2)coc1=O.
What is the InChIKey of 4-[3-(2-methylphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide?
The InChIKey is VUELNKHOACUCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4S/c1-11-4-2-3-5-14(11)18-15(10-22-16(18)19)12-6-8-13(9-7-12)23(17,20)21/h2-10H,1H3,(H2,17,20,21).
What are the key properties of 4-[3-(2-methylphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide?
4-[3-(2-methylphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide has a molecular weight of 330.37 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-methylphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 10336743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).