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

C48H38Cl4N6O12S3 — CID 158934913

IUPAC4-[3-(3,4-dichlorophenyl)-5-methyl-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide;4-[3-(3,4-dichlorophenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide;4-[5-methyl-3-(4-methylphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide
SMILESCc1ccc(-n2c(-c3ccc(S(N)(=O)=O)cc3)c(C)oc2=O)cc1.Cc1oc(=O)n(-c2ccc(Cl)c(Cl)c2)c1-c1ccc(S(N)(=O)=O)cc1.NS(=O)(=O)c1ccc(-c2coc(=O)n2-c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C17H16N2O4S.C16H12Cl2N2O4S.C15H10Cl2N2O4S/c1-11-3-7-14(8-4-11)19-16(12(2)23-17(19)20)13-5-9-15(10-6-13)24(18,21)22;1-9-15(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;16-12-6-3-10(7-13(12)17)19-14(8-23-15(19)20)9-1-4-11(5-2-9)24(18,21)22/h3-10H,1-2H3,(H2,18,21,22);2-8H,1H3,(H2,19,22,23);1-8H,(H2,18,21,22)
InChIKeyJJNJBRBQOBQANA-UHFFFAOYSA-N
MW1128.87 g/mol
LogP8.77
Rot. Bonds9

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

4-[3-(3,4-dichlorophenyl)-5-methyl-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide;4-[3-(3,4-dichlorophenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide;4-[5-methyl-3-(4-methylphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide (PubChem CID 158934913) has the molecular formula C48H38Cl4N6O12S3 and a molecular weight of 1128.87 g/mol. Its IUPAC name is 4-[3-(3,4-dichlorophenyl)-5-methyl-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide;4-[3-(3,4-dichlorophenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide;4-[5-methyl-3-(4-methylphenyl)-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;4-[3-(3,4-dichlorophenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide;4-[5-methyl-3-(4-methylphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide
PubChem CID158934913
Molecular FormulaC48H38Cl4N6O12S3
Molecular Weight1128.87 g/mol
Exact Mass1126.05
IUPAC Name4-[3-(3,4-dichlorophenyl)-5-methyl-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide;4-[3-(3,4-dichlorophenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide;4-[5-methyl-3-(4-methylphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide
SMILESCc1ccc(-n2c(-c3ccc(S(N)(=O)=O)cc3)c(C)oc2=O)cc1.Cc1oc(=O)n(-c2ccc(Cl)c(Cl)c2)c1-c1ccc(S(N)(=O)=O)cc1.NS(=O)(=O)c1ccc(-c2coc(=O)n2-c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C17H16N2O4S.C16H12Cl2N2O4S.C15H10Cl2N2O4S/c1-11-3-7-14(8-4-11)19-16(12(2)23-17(19)20)13-5-9-15(10-6-13)24(18,21)22;1-9-15(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;16-12-6-3-10(7-13(12)17)19-14(8-23-15(19)20)9-1-4-11(5-2-9)24(18,21)22/h3-10H,1-2H3,(H2,18,21,22);2-8H,1H3,(H2,19,22,23);1-8H,(H2,18,21,22)
InChIKeyJJNJBRBQOBQANA-UHFFFAOYSA-N
XLogP8.77
TPSA285.90 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds9
Heavy Atoms73
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001128.87
LogP ≤ 58.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Analyze 4-[3-(3,4-dichlorophenyl)-5-methyl-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide;4-[3-(3,4-dichlorophenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide;4-[5-methyl-3-(4-methylphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide with MolForge

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Launch Full Analysis

Related Compounds

4-[5-methyl-3-(3-methylphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide
CID 10831290
2-chloro-N-[[4-[3-(3,4-dichlorophenyl)-2-oxo-1,3-oxazol-4-yl]phenyl]-methyl-oxo-λ6-sulfanylidene]acetamide
CID 59681837
N,N-dibenzyl-4-[3-(3,4-dichlorophenyl)-5-methyl-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide
CID 10793337
4-[3-(3-fluorophenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide
CID 67676277
4-(4-methylphenyl)-3-phenyl-1,3-oxazol-2-one
CID 20768022
N,N-dibenzyl-4-[3-(4-methylphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide
CID 10529712
5-(4-chlorophenyl)-2-methyl-1-(4-sulfamoylphenyl)pyrrole-3-carboxylate
CID 24894219
sodium;hydride;4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;hydrate
CID 173010956
bis(4-methylbenzenesulfonamide);selane
CID 173300479
methane;4-methylbenzenesulfonamide
CID 66673954
4-[3-(4-chlorophenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide;4-[5-(hydroxymethyl)-3-phenyl-1,2-oxazol-4-yl]benzenesulfonamide;3-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazol-2-yl]pyridine;4-[2-pyridin-3-yl-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide
CID 158722804
4-[2-(4-chloro-3-methylphenyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide
CID 10621806

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3,4-dichlorophenyl)-5-methyl-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide;4-[3-(3,4-dichlorophenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide;4-[5-methyl-3-(4-methylphenyl)-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;4-[3-(3,4-dichlorophenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide;4-[5-methyl-3-(4-methylphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide (CID 158934913) is 4-[3-(3,4-dichlorophenyl)-5-methyl-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide;4-[3-(3,4-dichlorophenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide;4-[5-methyl-3-(4-methylphenyl)-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;4-[3-(3,4-dichlorophenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide;4-[5-methyl-3-(4-methylphenyl)-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;4-[3-(3,4-dichlorophenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide;4-[5-methyl-3-(4-methylphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide is Cc1ccc(-n2c(-c3ccc(S(N)(=O)=O)cc3)c(C)oc2=O)cc1.Cc1oc(=O)n(-c2ccc(Cl)c(Cl)c2)c1-c1ccc(S(N)(=O)=O)cc1.NS(=O)(=O)c1ccc(-c2coc(=O)n2-c2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 4-[3-(3,4-dichlorophenyl)-5-methyl-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide;4-[3-(3,4-dichlorophenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide;4-[5-methyl-3-(4-methylphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide?
The InChIKey is JJNJBRBQOBQANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4S.C16H12Cl2N2O4S.C15H10Cl2N2O4S/c1-11-3-7-14(8-4-11)19-16(12(2)23-17(19)20)13-5-9-15(10-6-13)24(18,21)22;1-9-15(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;16-12-6-3-10(7-13(12)17)19-14(8-23-15(19)20)9-1-4-11(5-2-9)24(18,21)22/h3-10H,1-2H3,(H2,18,21,22);2-8H,1H3,(H2,19,22,23);1-8H,(H2,18,21,22).
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)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide;4-[5-methyl-3-(4-methylphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide?
4-[3-(3,4-dichlorophenyl)-5-methyl-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide;4-[3-(3,4-dichlorophenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide;4-[5-methyl-3-(4-methylphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide has a molecular weight of 1128.87 g/mol, XLogP of 8.77, 9 rotatable bonds, 3 hydrogen bond donors, and 15 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;4-[3-(3,4-dichlorophenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide;4-[5-methyl-3-(4-methylphenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 158934913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).