2-chloro-N-(3,5-dimethylphenyl)-5-[(4-fluorophenyl)sulfamoyl]benzamide

C21H18ClFN2O3S — CID 27162794

IUPAC2-chloro-N-(3,5-dimethylphenyl)-5-[(4-fluorophenyl)sulfamoyl]benzamide
SMILESCc1cc(C)cc(NC(=O)c2cc(S(=O)(=O)Nc3ccc(F)cc3)ccc2Cl)c1
InChIInChI=1S/C21H18ClFN2O3S/c1-13-9-14(2)11-17(10-13)24-21(26)19-12-18(7-8-20(19)22)29(27,28)25-16-5-3-15(23)4-6-16/h3-12,25H,1-2H3,(H,24,26)
InChIKeyFXYJFICHYOUZPZ-UHFFFAOYSA-N
MW432.90 g/mol
LogP5.15
Rot. Bonds5

About 2-chloro-N-(3,5-dimethylphenyl)-5-[(4-fluorophenyl)sulfamoyl]benzamide

2-chloro-N-(3,5-dimethylphenyl)-5-[(4-fluorophenyl)sulfamoyl]benzamide (PubChem CID 27162794) has the molecular formula C21H18ClFN2O3S and a molecular weight of 432.90 g/mol. Its IUPAC name is 2-chloro-N-(3,5-dimethylphenyl)-5-[(4-fluorophenyl)sulfamoyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-(3,5-dimethylphenyl)-5-[(4-fluorophenyl)sulfamoyl]benzamide
PubChem CID27162794
Molecular FormulaC21H18ClFN2O3S
Molecular Weight432.90 g/mol
Exact Mass432.07
IUPAC Name2-chloro-N-(3,5-dimethylphenyl)-5-[(4-fluorophenyl)sulfamoyl]benzamide
SMILESCc1cc(C)cc(NC(=O)c2cc(S(=O)(=O)Nc3ccc(F)cc3)ccc2Cl)c1
InChIInChI=1S/C21H18ClFN2O3S/c1-13-9-14(2)11-17(10-13)24-21(26)19-12-18(7-8-20(19)22)29(27,28)25-16-5-3-15(23)4-6-16/h3-12,25H,1-2H3,(H,24,26)
InChIKeyFXYJFICHYOUZPZ-UHFFFAOYSA-N
XLogP5.15
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.90
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-chloro-N-(3,5-dimethylphenyl)-5-[(4-fluorophenyl)sulfamoyl]benzamide 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

2-chloro-5-[(4-fluorophenyl)sulfamoyl]-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 30910349
5-(benzenesulfonamido)-2-chloro-N-(3,5-dimethylphenyl)benzamide
CID 28575633
2-chloro-N-(3-methylphenyl)-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 1310313
2-chloro-5-[(4-fluorophenyl)sulfamoyl]-N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 2332788
2-chloro-N-cyclopropyl-5-[(4-fluorophenyl)sulfamoyl]benzamide
CID 27537411
N-[4-(carbamoylamino)phenyl]-2-chloro-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 33156080
N-butan-2-yl-2-chloro-5-[(4-fluorophenyl)sulfamoyl]benzamide
CID 51160726
2-chloro-5-[(4-methoxyphenyl)sulfamoyl]-N-(3-methylphenyl)benzamide
CID 1105127
2-chloro-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-5-morpholin-4-ylsulfonylbenzamide
CID 43882611
2-chloro-N-(3,4-dichlorophenyl)-5-[(4-methylphenyl)sulfonylamino]benzamide
CID 46778231
2-[[2-chloro-5-[(4-methylphenyl)sulfamoyl]benzoyl]amino]benzoic acid
CID 1356310
2-chloro-5-[(4-methylphenyl)sulfonylamino]-N-phenylbenzamide
CID 92683065

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3,5-dimethylphenyl)-5-[(4-fluorophenyl)sulfamoyl]benzamide?
The IUPAC name of 2-chloro-N-(3,5-dimethylphenyl)-5-[(4-fluorophenyl)sulfamoyl]benzamide (CID 27162794) is 2-chloro-N-(3,5-dimethylphenyl)-5-[(4-fluorophenyl)sulfamoyl]benzamide.
What is the SMILES notation for 2-chloro-N-(3,5-dimethylphenyl)-5-[(4-fluorophenyl)sulfamoyl]benzamide?
The canonical SMILES for 2-chloro-N-(3,5-dimethylphenyl)-5-[(4-fluorophenyl)sulfamoyl]benzamide is Cc1cc(C)cc(NC(=O)c2cc(S(=O)(=O)Nc3ccc(F)cc3)ccc2Cl)c1.
What is the InChIKey of 2-chloro-N-(3,5-dimethylphenyl)-5-[(4-fluorophenyl)sulfamoyl]benzamide?
The InChIKey is FXYJFICHYOUZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClFN2O3S/c1-13-9-14(2)11-17(10-13)24-21(26)19-12-18(7-8-20(19)22)29(27,28)25-16-5-3-15(23)4-6-16/h3-12,25H,1-2H3,(H,24,26).
What are the key properties of 2-chloro-N-(3,5-dimethylphenyl)-5-[(4-fluorophenyl)sulfamoyl]benzamide?
2-chloro-N-(3,5-dimethylphenyl)-5-[(4-fluorophenyl)sulfamoyl]benzamide has a molecular weight of 432.90 g/mol, XLogP of 5.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3,5-dimethylphenyl)-5-[(4-fluorophenyl)sulfamoyl]benzamide is sourced from PubChem (CID 27162794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).