5-(4-chlorophenyl)-2-(3-methyl-2H-1,2-oxazol-3-yl)benzenesulfonamide

C16H15ClN2O3S — CID 67697521

IUPAC5-(4-chlorophenyl)-2-(3-methyl-2H-1,2-oxazol-3-yl)benzenesulfonamide
SMILESCC1(c2ccc(-c3ccc(Cl)cc3)cc2S(N)(=O)=O)C=CON1
InChIInChI=1S/C16H15ClN2O3S/c1-16(8-9-22-19-16)14-7-4-12(10-15(14)23(18,20)21)11-2-5-13(17)6-3-11/h2-10,19H,1H3,(H2,18,20,21)
InChIKeyLJQDQUGPMIPREI-UHFFFAOYSA-N
MW350.83 g/mol
LogP2.92
Rot. Bonds3

About 5-(4-chlorophenyl)-2-(3-methyl-2H-1,2-oxazol-3-yl)benzenesulfonamide

5-(4-chlorophenyl)-2-(3-methyl-2H-1,2-oxazol-3-yl)benzenesulfonamide (PubChem CID 67697521) has the molecular formula C16H15ClN2O3S and a molecular weight of 350.83 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-2-(3-methyl-2H-1,2-oxazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-2-(3-methyl-2H-1,2-oxazol-3-yl)benzenesulfonamide
PubChem CID67697521
Molecular FormulaC16H15ClN2O3S
Molecular Weight350.83 g/mol
Exact Mass350.05
IUPAC Name5-(4-chlorophenyl)-2-(3-methyl-2H-1,2-oxazol-3-yl)benzenesulfonamide
SMILESCC1(c2ccc(-c3ccc(Cl)cc3)cc2S(N)(=O)=O)C=CON1
InChIInChI=1S/C16H15ClN2O3S/c1-16(8-9-22-19-16)14-7-4-12(10-15(14)23(18,20)21)11-2-5-13(17)6-3-11/h2-10,19H,1H3,(H2,18,20,21)
InChIKeyLJQDQUGPMIPREI-UHFFFAOYSA-N
XLogP2.92
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.83
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-2-(3-methyl-2H-1,2-oxazol-3-yl)benzenesulfonamide?
The IUPAC name of 5-(4-chlorophenyl)-2-(3-methyl-2H-1,2-oxazol-3-yl)benzenesulfonamide (CID 67697521) is 5-(4-chlorophenyl)-2-(3-methyl-2H-1,2-oxazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 5-(4-chlorophenyl)-2-(3-methyl-2H-1,2-oxazol-3-yl)benzenesulfonamide?
The canonical SMILES for 5-(4-chlorophenyl)-2-(3-methyl-2H-1,2-oxazol-3-yl)benzenesulfonamide is CC1(c2ccc(-c3ccc(Cl)cc3)cc2S(N)(=O)=O)C=CON1.
What is the InChIKey of 5-(4-chlorophenyl)-2-(3-methyl-2H-1,2-oxazol-3-yl)benzenesulfonamide?
The InChIKey is LJQDQUGPMIPREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O3S/c1-16(8-9-22-19-16)14-7-4-12(10-15(14)23(18,20)21)11-2-5-13(17)6-3-11/h2-10,19H,1H3,(H2,18,20,21).
What are the key properties of 5-(4-chlorophenyl)-2-(3-methyl-2H-1,2-oxazol-3-yl)benzenesulfonamide?
5-(4-chlorophenyl)-2-(3-methyl-2H-1,2-oxazol-3-yl)benzenesulfonamide has a molecular weight of 350.83 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-2-(3-methyl-2H-1,2-oxazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 67697521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).