N-[4-chloro-3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide

C23H15Cl3FN3O4S — CID 3319119

IUPACN-[4-chloro-3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1ccc(Cl)c(S(=O)(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C23H15Cl3FN3O4S/c1-12-20(22(29-34-12)21-16(26)6-4-7-17(21)27)23(31)28-13-9-10-15(25)19(11-13)35(32,33)30-18-8-3-2-5-14(18)24/h2-11,30H,1H3,(H,28,31)
InChIKeyBGKPGYKWCZPFLP-UHFFFAOYSA-N
MW554.81 g/mol
LogP6.80
Rot. Bonds6

About N-[4-chloro-3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide

N-[4-chloro-3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 3319119) has the molecular formula C23H15Cl3FN3O4S and a molecular weight of 554.81 g/mol. Its IUPAC name is N-[4-chloro-3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID3319119
Molecular FormulaC23H15Cl3FN3O4S
Molecular Weight554.81 g/mol
Exact Mass552.98
IUPAC NameN-[4-chloro-3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1ccc(Cl)c(S(=O)(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C23H15Cl3FN3O4S/c1-12-20(22(29-34-12)21-16(26)6-4-7-17(21)27)23(31)28-13-9-10-15(25)19(11-13)35(32,33)30-18-8-3-2-5-14(18)24/h2-11,30H,1H3,(H,28,31)
InChIKeyBGKPGYKWCZPFLP-UHFFFAOYSA-N
XLogP6.80
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.81
LogP ≤ 56.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-chloro-3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

diethyl 5-[[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]benzene-1,3-dicarboxylate
CID 43009709
3-(2-chloro-6-fluorophenyl)-N-[3-(diethylcarbamoyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 31365657
3-(2-chloro-6-fluorophenyl)-N-(2-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 1129473
3-(2-chloro-6-fluorophenyl)-N-[4-(dimethylcarbamoyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 34546564
3-(2-chloro-6-fluorophenyl)-N-(2,4-difluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 9209306
3-(2-chloro-6-fluorophenyl)-N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 52666564
3-(2-chloro-6-fluorophenyl)-N-[4-(diethylamino)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 2811851
3-(2,6-dichlorophenyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 46586101
N-[4-(tert-butylsulfamoyl)phenyl]-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 3384890
3-(2-chloro-6-fluorophenyl)-N-(4,6-dimethylpyrimidin-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 5223953
3-(2,6-dichlorophenyl)-5-methyl-N-[4-(phenylcarbamoylamino)phenyl]-1,2-oxazole-4-carboxamide
CID 31825313
3-(2,6-dichlorophenyl)-N-(4-hydroxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 1008270

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[4-chloro-3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide (CID 3319119) is N-[4-chloro-3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[4-chloro-3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[4-chloro-3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide is Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1ccc(Cl)c(S(=O)(=O)Nc2ccccc2Cl)c1.
What is the InChIKey of N-[4-chloro-3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is BGKPGYKWCZPFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15Cl3FN3O4S/c1-12-20(22(29-34-12)21-16(26)6-4-7-17(21)27)23(31)28-13-9-10-15(25)19(11-13)35(32,33)30-18-8-3-2-5-14(18)24/h2-11,30H,1H3,(H,28,31).
What are the key properties of N-[4-chloro-3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
N-[4-chloro-3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 554.81 g/mol, XLogP of 6.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 3319119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).