2-chloro-5-[[4-[(3-chloro-4-fluorophenyl)sulfonylamino]benzoyl]amino]-N-methylbenzamide

C21H16Cl2FN3O4S — CID 55990230

IUPAC2-chloro-5-[[4-[(3-chloro-4-fluorophenyl)sulfonylamino]benzoyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1cc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(F)c(Cl)c3)cc2)ccc1Cl
InChIInChI=1S/C21H16Cl2FN3O4S/c1-25-21(29)16-10-14(6-8-17(16)22)26-20(28)12-2-4-13(5-3-12)27-32(30,31)15-7-9-19(24)18(23)11-15/h2-11,27H,1H3,(H,25,29)(H,26,28)
InChIKeyRRJNPRJHFCNMQW-UHFFFAOYSA-N
MW496.35 g/mol
LogP4.55
Rot. Bonds6

About 2-chloro-5-[[4-[(3-chloro-4-fluorophenyl)sulfonylamino]benzoyl]amino]-N-methylbenzamide

2-chloro-5-[[4-[(3-chloro-4-fluorophenyl)sulfonylamino]benzoyl]amino]-N-methylbenzamide (PubChem CID 55990230) has the molecular formula C21H16Cl2FN3O4S and a molecular weight of 496.35 g/mol. Its IUPAC name is 2-chloro-5-[[4-[(3-chloro-4-fluorophenyl)sulfonylamino]benzoyl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name2-chloro-5-[[4-[(3-chloro-4-fluorophenyl)sulfonylamino]benzoyl]amino]-N-methylbenzamide
PubChem CID55990230
Molecular FormulaC21H16Cl2FN3O4S
Molecular Weight496.35 g/mol
Exact Mass495.02
IUPAC Name2-chloro-5-[[4-[(3-chloro-4-fluorophenyl)sulfonylamino]benzoyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1cc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(F)c(Cl)c3)cc2)ccc1Cl
InChIInChI=1S/C21H16Cl2FN3O4S/c1-25-21(29)16-10-14(6-8-17(16)22)26-20(28)12-2-4-13(5-3-12)27-32(30,31)15-7-9-19(24)18(23)11-15/h2-11,27H,1H3,(H,25,29)(H,26,28)
InChIKeyRRJNPRJHFCNMQW-UHFFFAOYSA-N
XLogP4.55
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.35
LogP ≤ 54.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-chloro-5-[[4-[(3-chloro-4-fluorophenyl)sulfonylamino]benzoyl]amino]-N-methylbenzamide 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

methyl 4-[[4-[(3-chloro-4-fluorophenyl)sulfonylamino]benzoyl]amino]benzoate
CID 43000828
2-chloro-5-[(4-fluorophenyl)sulfamoyl]-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 30910349
N-(4-chloro-2-fluorophenyl)-4-[(3-chloro-4-fluorophenyl)sulfonylamino]benzamide
CID 26696432
4-[(3,4-difluorophenyl)sulfonylamino]-N-methylbenzamide
CID 25335198
3-[(3,4-dichlorophenyl)sulfonylamino]-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 24635607
5-[[4-[(4-acetylphenyl)sulfonylamino]benzoyl]amino]-2-chlorobenzamide
CID 36525734
4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-pentan-2-ylbenzamide
CID 46538107
4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-(3-methoxypropyl)benzamide
CID 26593242
4-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-methylbenzamide
CID 47516564
4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(4-fluorophenyl)benzamide
CID 42053342
2-chloro-N-(3,5-dimethylphenyl)-5-[(4-fluorophenyl)sulfamoyl]benzamide
CID 27162794
4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(4-hydroxyphenyl)benzamide
CID 112771839

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[[4-[(3-chloro-4-fluorophenyl)sulfonylamino]benzoyl]amino]-N-methylbenzamide?
The IUPAC name of 2-chloro-5-[[4-[(3-chloro-4-fluorophenyl)sulfonylamino]benzoyl]amino]-N-methylbenzamide (CID 55990230) is 2-chloro-5-[[4-[(3-chloro-4-fluorophenyl)sulfonylamino]benzoyl]amino]-N-methylbenzamide.
What is the SMILES notation for 2-chloro-5-[[4-[(3-chloro-4-fluorophenyl)sulfonylamino]benzoyl]amino]-N-methylbenzamide?
The canonical SMILES for 2-chloro-5-[[4-[(3-chloro-4-fluorophenyl)sulfonylamino]benzoyl]amino]-N-methylbenzamide is CNC(=O)c1cc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(F)c(Cl)c3)cc2)ccc1Cl.
What is the InChIKey of 2-chloro-5-[[4-[(3-chloro-4-fluorophenyl)sulfonylamino]benzoyl]amino]-N-methylbenzamide?
The InChIKey is RRJNPRJHFCNMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl2FN3O4S/c1-25-21(29)16-10-14(6-8-17(16)22)26-20(28)12-2-4-13(5-3-12)27-32(30,31)15-7-9-19(24)18(23)11-15/h2-11,27H,1H3,(H,25,29)(H,26,28).
What are the key properties of 2-chloro-5-[[4-[(3-chloro-4-fluorophenyl)sulfonylamino]benzoyl]amino]-N-methylbenzamide?
2-chloro-5-[[4-[(3-chloro-4-fluorophenyl)sulfonylamino]benzoyl]amino]-N-methylbenzamide has a molecular weight of 496.35 g/mol, XLogP of 4.55, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[[4-[(3-chloro-4-fluorophenyl)sulfonylamino]benzoyl]amino]-N-methylbenzamide is sourced from PubChem (CID 55990230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).