4-[3-(3,4-dichlorophenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide

C15H10Cl2N2O4S — CID 10667766

IUPAC4-[3-(3,4-dichlorophenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2coc(=O)n2-c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C15H10Cl2N2O4S/c16-12-6-3-10(7-13(12)17)19-14(8-23-15(19)20)9-1-4-11(5-2-9)24(18,21)22/h1-8H,(H2,18,21,22)
InChIKeyADKQVMYWICSUOZ-UHFFFAOYSA-N
MW385.23 g/mol
LogP3.05
Rot. Bonds3

About 4-[3-(3,4-dichlorophenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide

4-[3-(3,4-dichlorophenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide (PubChem CID 10667766) has the molecular formula C15H10Cl2N2O4S and a molecular weight of 385.23 g/mol. Its IUPAC name is 4-[3-(3,4-dichlorophenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-(3,4-dichlorophenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide
PubChem CID10667766
Molecular FormulaC15H10Cl2N2O4S
Molecular Weight385.23 g/mol
Exact Mass383.97
IUPAC Name4-[3-(3,4-dichlorophenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2coc(=O)n2-c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C15H10Cl2N2O4S/c16-12-6-3-10(7-13(12)17)19-14(8-23-15(19)20)9-1-4-11(5-2-9)24(18,21)22/h1-8H,(H2,18,21,22)
InChIKeyADKQVMYWICSUOZ-UHFFFAOYSA-N
XLogP3.05
TPSA95.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.23
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(3,4-dichlorophenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide?
The IUPAC name of 4-[3-(3,4-dichlorophenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide (CID 10667766) is 4-[3-(3,4-dichlorophenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-[3-(3,4-dichlorophenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide?
The canonical SMILES for 4-[3-(3,4-dichlorophenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-c2coc(=O)n2-c2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 4-[3-(3,4-dichlorophenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide?
The InChIKey is ADKQVMYWICSUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2O4S/c16-12-6-3-10(7-13(12)17)19-14(8-23-15(19)20)9-1-4-11(5-2-9)24(18,21)22/h1-8H,(H2,18,21,22).
What are the key properties of 4-[3-(3,4-dichlorophenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide?
4-[3-(3,4-dichlorophenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide has a molecular weight of 385.23 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3,4-dichlorophenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 10667766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).