4-[3-(3,4-dichlorophenyl)-5-methyl-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide

C16H12Cl2N2O4S — CID 10763435

IUPAC4-[3-(3,4-dichlorophenyl)-5-methyl-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide
SMILESCc1oc(=O)n(-c2ccc(Cl)c(Cl)c2)c1-c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C16H12Cl2N2O4S/c1-9-15(10-2-5-12(6-3-10)25(19,22)23)20(16(21)24-9)11-4-7-13(17)14(18)8-11/h2-8H,1H3,(H2,19,22,23)
InChIKeyNUDDJTVUTAHDEI-UHFFFAOYSA-N
MW399.26 g/mol
LogP3.36
Rot. Bonds3

About 4-[3-(3,4-dichlorophenyl)-5-methyl-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide

4-[3-(3,4-dichlorophenyl)-5-methyl-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide (PubChem CID 10763435) has the molecular formula C16H12Cl2N2O4S and a molecular weight of 399.26 g/mol. Its IUPAC name is 4-[3-(3,4-dichlorophenyl)-5-methyl-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-(3,4-dichlorophenyl)-5-methyl-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide
PubChem CID10763435
Molecular FormulaC16H12Cl2N2O4S
Molecular Weight399.26 g/mol
Exact Mass397.99
IUPAC Name4-[3-(3,4-dichlorophenyl)-5-methyl-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide
SMILESCc1oc(=O)n(-c2ccc(Cl)c(Cl)c2)c1-c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C16H12Cl2N2O4S/c1-9-15(10-2-5-12(6-3-10)25(19,22)23)20(16(21)24-9)11-4-7-13(17)14(18)8-11/h2-8H,1H3,(H2,19,22,23)
InChIKeyNUDDJTVUTAHDEI-UHFFFAOYSA-N
XLogP3.36
TPSA95.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.26
LogP ≤ 53.36
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)-5-methyl-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide?
The IUPAC name of 4-[3-(3,4-dichlorophenyl)-5-methyl-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide (CID 10763435) is 4-[3-(3,4-dichlorophenyl)-5-methyl-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-[3-(3,4-dichlorophenyl)-5-methyl-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide?
The canonical SMILES for 4-[3-(3,4-dichlorophenyl)-5-methyl-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide is Cc1oc(=O)n(-c2ccc(Cl)c(Cl)c2)c1-c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[3-(3,4-dichlorophenyl)-5-methyl-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide?
The InChIKey is NUDDJTVUTAHDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2O4S/c1-9-15(10-2-5-12(6-3-10)25(19,22)23)20(16(21)24-9)11-4-7-13(17)14(18)8-11/h2-8H,1H3,(H2,19,22,23).
What are the key properties of 4-[3-(3,4-dichlorophenyl)-5-methyl-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide?
4-[3-(3,4-dichlorophenyl)-5-methyl-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide has a molecular weight of 399.26 g/mol, XLogP of 3.36, 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)-5-methyl-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 10763435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).