N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide

C18H16ClN3O4S — CID 2225142

IUPACN-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H16ClN3O4S/c1-11-17(12(2)26-21-11)18(23)20-14-7-9-16(10-8-14)27(24,25)22-15-5-3-13(19)4-6-15/h3-10,22H,1-2H3,(H,20,23)
InChIKeyDQFPQNCKTCSSLG-UHFFFAOYSA-N
MW405.86 g/mol
LogP4.00
Rot. Bonds5

About N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide

N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (PubChem CID 2225142) has the molecular formula C18H16ClN3O4S and a molecular weight of 405.86 g/mol. Its IUPAC name is N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
PubChem CID2225142
Molecular FormulaC18H16ClN3O4S
Molecular Weight405.86 g/mol
Exact Mass405.06
IUPAC NameN-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H16ClN3O4S/c1-11-17(12(2)26-21-11)18(23)20-14-7-9-16(10-8-14)27(24,25)22-15-5-3-13(19)4-6-15/h3-10,22H,1-2H3,(H,20,23)
InChIKeyDQFPQNCKTCSSLG-UHFFFAOYSA-N
XLogP4.00
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.86
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3,5-dimethyl-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

3,5-dimethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1,2-oxazole-4-carboxamide
CID 2225489
N-(4-ethylsulfonylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 42021822
N-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 52689701
N-(4-hydroxyphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 28780641
N-(4-chlorophenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 7720348
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzamide
CID 7553542
4-[(4-chlorophenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 9411666
N-(4-bromophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 770330
N-[3-[(4-chlorophenyl)sulfamoyl]-4-fluorophenyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 168786225
N-[4-[[4-[(4-chlorophenyl)sulfamoyl]benzoyl]amino]phenyl]furan-2-carboxamide
CID 42014553
N-(4-chloro-2-iodophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 113257836
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2,5-dimethylbenzamide
CID 100532256

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (CID 2225142) is N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is Cc1noc(C)c1C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is DQFPQNCKTCSSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O4S/c1-11-17(12(2)26-21-11)18(23)20-14-7-9-16(10-8-14)27(24,25)22-15-5-3-13(19)4-6-15/h3-10,22H,1-2H3,(H,20,23).
What are the key properties of N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 405.86 g/mol, XLogP of 4.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 2225142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).