4-[5-methyl-3-(3-methylphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide

C17H16N2O4S — CID 10831290

IUPAC4-[5-methyl-3-(3-methylphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide
SMILESCc1cccc(-n2c(-c3ccc(S(N)(=O)=O)cc3)c(C)oc2=O)c1
InChIInChI=1S/C17H16N2O4S/c1-11-4-3-5-14(10-11)19-16(12(2)23-17(19)20)13-6-8-15(9-7-13)24(18,21)22/h3-10H,1-2H3,(H2,18,21,22)
InChIKeyUALGIHWFQTYUOP-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.36
Rot. Bonds3

About 4-[5-methyl-3-(3-methylphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide

4-[5-methyl-3-(3-methylphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide (PubChem CID 10831290) has the molecular formula C17H16N2O4S and a molecular weight of 344.39 g/mol. Its IUPAC name is 4-[5-methyl-3-(3-methylphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-methyl-3-(3-methylphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide
PubChem CID10831290
Molecular FormulaC17H16N2O4S
Molecular Weight344.39 g/mol
Exact Mass344.08
IUPAC Name4-[5-methyl-3-(3-methylphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide
SMILESCc1cccc(-n2c(-c3ccc(S(N)(=O)=O)cc3)c(C)oc2=O)c1
InChIInChI=1S/C17H16N2O4S/c1-11-4-3-5-14(10-11)19-16(12(2)23-17(19)20)13-6-8-15(9-7-13)24(18,21)22/h3-10H,1-2H3,(H2,18,21,22)
InChIKeyUALGIHWFQTYUOP-UHFFFAOYSA-N
XLogP2.36
TPSA95.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(3,4-dichlorophenyl)-5-methyl-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide;4-[3-(3,4-dichlorophenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide;4-[5-methyl-3-(4-methylphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide
CID 158934913
4-[3-(3-fluorophenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide
CID 67676277
3-methylbenzenesulfonamide
CID 69347063
4-[5-[(E)-[3-(3-methylphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzenesulfonamide
CID 21178646
4-[3-(3-methylphenyl)-4-oxochromen-2-yl]benzenesulfonamide
CID 18324999
bis(4-methylbenzenesulfonamide);selane
CID 173300479
methane;4-methylbenzenesulfonamide
CID 66673954
5-fluoro-3-(3-methylphenyl)-1,3-benzoxazine-2,4-dione
CID 2725986
4-[2-(4-methylphenyl)phenyl]benzenesulfonamide
CID 23451018
4-[1-(3-methylphenyl)azulen-2-yl]benzenesulfonamide
CID 22107208
4-[2-[(Z)-[1-(3-methylphenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl]pyrrol-1-yl]benzenesulfonamide
CID 2189107
[(3R)-1-(3-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-[(4-sulfamoylphenyl)methyl]azanium
CID 6960635

Frequently Asked Questions

What is the IUPAC name of 4-[5-methyl-3-(3-methylphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide?
The IUPAC name of 4-[5-methyl-3-(3-methylphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide (CID 10831290) is 4-[5-methyl-3-(3-methylphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-methyl-3-(3-methylphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-methyl-3-(3-methylphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide is Cc1cccc(-n2c(-c3ccc(S(N)(=O)=O)cc3)c(C)oc2=O)c1.
What is the InChIKey of 4-[5-methyl-3-(3-methylphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide?
The InChIKey is UALGIHWFQTYUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4S/c1-11-4-3-5-14(10-11)19-16(12(2)23-17(19)20)13-6-8-15(9-7-13)24(18,21)22/h3-10H,1-2H3,(H2,18,21,22).
What are the key properties of 4-[5-methyl-3-(3-methylphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide?
4-[5-methyl-3-(3-methylphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide has a molecular weight of 344.39 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-methyl-3-(3-methylphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 10831290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).