2-(5-methylsulfinyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide

C16H14N2O4S2 — CID 67594883

IUPAC2-(5-methylsulfinyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide
SMILESCS(=O)c1onc(-c2ccccc2)c1-c1ccccc1S(N)(=O)=O
InChIInChI=1S/C16H14N2O4S2/c1-23(19)16-14(12-9-5-6-10-13(12)24(17,20)21)15(18-22-16)11-7-3-2-4-8-11/h2-10H,1H3,(H2,17,20,21)
InChIKeyFQTWLWHVCDAFLI-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.39
Rot. Bonds4

About 2-(5-methylsulfinyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide

2-(5-methylsulfinyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide (PubChem CID 67594883) has the molecular formula C16H14N2O4S2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 2-(5-methylsulfinyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-(5-methylsulfinyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide
PubChem CID67594883
Molecular FormulaC16H14N2O4S2
Molecular Weight362.43 g/mol
Exact Mass362.04
IUPAC Name2-(5-methylsulfinyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide
SMILESCS(=O)c1onc(-c2ccccc2)c1-c1ccccc1S(N)(=O)=O
InChIInChI=1S/C16H14N2O4S2/c1-23(19)16-14(12-9-5-6-10-13(12)24(17,20)21)15(18-22-16)11-7-3-2-4-8-11/h2-10H,1H3,(H2,17,20,21)
InChIKeyFQTWLWHVCDAFLI-UHFFFAOYSA-N
XLogP2.39
TPSA103.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-phenyl-5-propyl-1,2-oxazol-4-yl)benzenesulfonamide
CID 67594995
2-[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]benzenesulfonamide
CID 67560551
2-[5-[(2-hydroxy-2-methylpropoxy)methyl]-3-phenyl-1,2-oxazol-4-yl]benzenesulfonamide
CID 67594923
2-[3-(4-chlorophenyl)-5-propyl-1,2-oxazol-4-yl]benzenesulfonamide
CID 173207565
2-[3-(4-fluorophenyl)-5-propyl-1,2-oxazol-4-yl]benzenesulfonamide
CID 173207014
4-(5-(113C)methyl-3-phenyl-(513C,215N)1,2-oxazol-4-yl)benzenesulfonamide
CID 46783221
2-[2-(4,5-dimethyl-1,2-oxazol-3-yl)phenyl]benzenesulfonamide
CID 70207331
methane;4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide
CID 160931998
2-[3-(2-methylpropyl)-4-phenyl-1,2-oxazol-5-yl]benzenesulfonamide
CID 67613413
2-(3-ethyl-4-phenyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 67597127
3-hydroxy-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide;hydrate
CID 142774855
3-phenylbenzo[f][1,2]benzoxazole-4,9-dione
CID 15185268

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylsulfinyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide?
The IUPAC name of 2-(5-methylsulfinyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide (CID 67594883) is 2-(5-methylsulfinyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 2-(5-methylsulfinyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide?
The canonical SMILES for 2-(5-methylsulfinyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide is CS(=O)c1onc(-c2ccccc2)c1-c1ccccc1S(N)(=O)=O.
What is the InChIKey of 2-(5-methylsulfinyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide?
The InChIKey is FQTWLWHVCDAFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4S2/c1-23(19)16-14(12-9-5-6-10-13(12)24(17,20)21)15(18-22-16)11-7-3-2-4-8-11/h2-10H,1H3,(H2,17,20,21).
What are the key properties of 2-(5-methylsulfinyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide?
2-(5-methylsulfinyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide has a molecular weight of 362.43 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylsulfinyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 67594883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).