2-[2-(4,5-dimethyl-1,2-oxazol-3-yl)phenyl]benzenesulfonamide

C17H16N2O3S — CID 70207331

IUPAC2-[2-(4,5-dimethyl-1,2-oxazol-3-yl)phenyl]benzenesulfonamide
SMILESCc1onc(-c2ccccc2-c2ccccc2S(N)(=O)=O)c1C
InChIInChI=1S/C17H16N2O3S/c1-11-12(2)22-19-17(11)15-9-4-3-7-13(15)14-8-5-6-10-16(14)23(18,20)21/h3-10H,1-2H3,(H2,18,20,21)
InChIKeySWJZWPJXRSGBCD-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.27
Rot. Bonds3

About 2-[2-(4,5-dimethyl-1,2-oxazol-3-yl)phenyl]benzenesulfonamide

2-[2-(4,5-dimethyl-1,2-oxazol-3-yl)phenyl]benzenesulfonamide (PubChem CID 70207331) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is 2-[2-(4,5-dimethyl-1,2-oxazol-3-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-[2-(4,5-dimethyl-1,2-oxazol-3-yl)phenyl]benzenesulfonamide
PubChem CID70207331
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC Name2-[2-(4,5-dimethyl-1,2-oxazol-3-yl)phenyl]benzenesulfonamide
SMILESCc1onc(-c2ccccc2-c2ccccc2S(N)(=O)=O)c1C
InChIInChI=1S/C17H16N2O3S/c1-11-12(2)22-19-17(11)15-9-4-3-7-13(15)14-8-5-6-10-16(14)23(18,20)21/h3-10H,1-2H3,(H2,18,20,21)
InChIKeySWJZWPJXRSGBCD-UHFFFAOYSA-N
XLogP3.27
TPSA86.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4,5-dimethyl-1,2-oxazol-3-yl)phenyl]benzenesulfonamide?
The IUPAC name of 2-[2-(4,5-dimethyl-1,2-oxazol-3-yl)phenyl]benzenesulfonamide (CID 70207331) is 2-[2-(4,5-dimethyl-1,2-oxazol-3-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2-[2-(4,5-dimethyl-1,2-oxazol-3-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 2-[2-(4,5-dimethyl-1,2-oxazol-3-yl)phenyl]benzenesulfonamide is Cc1onc(-c2ccccc2-c2ccccc2S(N)(=O)=O)c1C.
What is the InChIKey of 2-[2-(4,5-dimethyl-1,2-oxazol-3-yl)phenyl]benzenesulfonamide?
The InChIKey is SWJZWPJXRSGBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S/c1-11-12(2)22-19-17(11)15-9-4-3-7-13(15)14-8-5-6-10-16(14)23(18,20)21/h3-10H,1-2H3,(H2,18,20,21).
What are the key properties of 2-[2-(4,5-dimethyl-1,2-oxazol-3-yl)phenyl]benzenesulfonamide?
2-[2-(4,5-dimethyl-1,2-oxazol-3-yl)phenyl]benzenesulfonamide has a molecular weight of 328.39 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4,5-dimethyl-1,2-oxazol-3-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 70207331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).