4-(2-methyl-1,3-oxazol-4-yl)-N-(2-methylphenyl)benzenesulfonamide

C17H16N2O3S — CID 22583091

IUPAC4-(2-methyl-1,3-oxazol-4-yl)-N-(2-methylphenyl)benzenesulfonamide
SMILESCc1nc(-c2ccc(S(=O)(=O)Nc3ccccc3C)cc2)co1
InChIInChI=1S/C17H16N2O3S/c1-12-5-3-4-6-16(12)19-23(20,21)15-9-7-14(8-10-15)17-11-22-13(2)18-17/h3-11,19H,1-2H3
InChIKeyCILIQQACIXJEQG-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.76
Rot. Bonds4

About 4-(2-methyl-1,3-oxazol-4-yl)-N-(2-methylphenyl)benzenesulfonamide

4-(2-methyl-1,3-oxazol-4-yl)-N-(2-methylphenyl)benzenesulfonamide (PubChem CID 22583091) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is 4-(2-methyl-1,3-oxazol-4-yl)-N-(2-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-methyl-1,3-oxazol-4-yl)-N-(2-methylphenyl)benzenesulfonamide
PubChem CID22583091
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC Name4-(2-methyl-1,3-oxazol-4-yl)-N-(2-methylphenyl)benzenesulfonamide
SMILESCc1nc(-c2ccc(S(=O)(=O)Nc3ccccc3C)cc2)co1
InChIInChI=1S/C17H16N2O3S/c1-12-5-3-4-6-16(12)19-23(20,21)15-9-7-14(8-10-15)17-11-22-13(2)18-17/h3-11,19H,1-2H3
InChIKeyCILIQQACIXJEQG-UHFFFAOYSA-N
XLogP3.76
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-1,3-oxazol-4-yl)-N-(2-methylphenyl)benzenesulfonamide?
The IUPAC name of 4-(2-methyl-1,3-oxazol-4-yl)-N-(2-methylphenyl)benzenesulfonamide (CID 22583091) is 4-(2-methyl-1,3-oxazol-4-yl)-N-(2-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-(2-methyl-1,3-oxazol-4-yl)-N-(2-methylphenyl)benzenesulfonamide?
The canonical SMILES for 4-(2-methyl-1,3-oxazol-4-yl)-N-(2-methylphenyl)benzenesulfonamide is Cc1nc(-c2ccc(S(=O)(=O)Nc3ccccc3C)cc2)co1.
What is the InChIKey of 4-(2-methyl-1,3-oxazol-4-yl)-N-(2-methylphenyl)benzenesulfonamide?
The InChIKey is CILIQQACIXJEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S/c1-12-5-3-4-6-16(12)19-23(20,21)15-9-7-14(8-10-15)17-11-22-13(2)18-17/h3-11,19H,1-2H3.
What are the key properties of 4-(2-methyl-1,3-oxazol-4-yl)-N-(2-methylphenyl)benzenesulfonamide?
4-(2-methyl-1,3-oxazol-4-yl)-N-(2-methylphenyl)benzenesulfonamide has a molecular weight of 328.39 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-1,3-oxazol-4-yl)-N-(2-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 22583091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).