4-chloro-2-[(4-fluorobenzoyl)amino]-N-[4-(sulfamoylmethyl)phenyl]benzamide

C21H17ClFN3O4S — CID 24669131

IUPAC4-chloro-2-[(4-fluorobenzoyl)amino]-N-[4-(sulfamoylmethyl)phenyl]benzamide
SMILESNS(=O)(=O)Cc1ccc(NC(=O)c2ccc(Cl)cc2NC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C21H17ClFN3O4S/c22-15-5-10-18(19(11-15)26-20(27)14-3-6-16(23)7-4-14)21(28)25-17-8-1-13(2-9-17)12-31(24,29)30/h1-11H,12H2,(H,25,28)(H,26,27)(H2,24,29,30)
InChIKeyVQPXGKRRBIGCFD-UHFFFAOYSA-N
MW461.90 g/mol
LogP3.77
Rot. Bonds6

About 4-chloro-2-[(4-fluorobenzoyl)amino]-N-[4-(sulfamoylmethyl)phenyl]benzamide

4-chloro-2-[(4-fluorobenzoyl)amino]-N-[4-(sulfamoylmethyl)phenyl]benzamide (PubChem CID 24669131) has the molecular formula C21H17ClFN3O4S and a molecular weight of 461.90 g/mol. Its IUPAC name is 4-chloro-2-[(4-fluorobenzoyl)amino]-N-[4-(sulfamoylmethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-2-[(4-fluorobenzoyl)amino]-N-[4-(sulfamoylmethyl)phenyl]benzamide
PubChem CID24669131
Molecular FormulaC21H17ClFN3O4S
Molecular Weight461.90 g/mol
Exact Mass461.06
IUPAC Name4-chloro-2-[(4-fluorobenzoyl)amino]-N-[4-(sulfamoylmethyl)phenyl]benzamide
SMILESNS(=O)(=O)Cc1ccc(NC(=O)c2ccc(Cl)cc2NC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C21H17ClFN3O4S/c22-15-5-10-18(19(11-15)26-20(27)14-3-6-16(23)7-4-14)21(28)25-17-8-1-13(2-9-17)12-31(24,29)30/h1-11H,12H2,(H,25,28)(H,26,27)(H2,24,29,30)
InChIKeyVQPXGKRRBIGCFD-UHFFFAOYSA-N
XLogP3.77
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.90
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[4-(sulfamoylmethyl)phenyl]benzamide
CID 24632207
N-(3-acetylphenyl)-4-chloro-2-[(4-fluorobenzoyl)amino]benzamide
CID 9095798
N-(5-chloro-2-fluorophenyl)-4-fluorobenzamide
CID 2664585
4-N-(4-chloro-2-methylphenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049900
4-chloro-2-fluoro-N-(4-fluorophenyl)benzamide
CID 26687726
4-chloro-2-[(4-fluorobenzoyl)amino]-N-(2-methylphenyl)benzamide
CID 8714104
4-chloro-2-[(4-fluorobenzoyl)amino]-N-propan-2-ylbenzamide
CID 24662064
2-amino-5-chloro-N-(4-fluorophenyl)benzamide
CID 6481536
N-[4-chloro-2-(4-fluorobenzoyl)phenyl]-4-fluorobenzamide
CID 67505636
2-anilino-N-[4-(sulfamoylmethyl)phenyl]benzamide
CID 55616235
N-(2-carbamothioyl-5-chlorophenyl)-4-ethylbenzamide
CID 64916815
3,4-diethoxy-N-[4-(sulfamoylmethyl)phenyl]benzamide
CID 55551961

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(4-fluorobenzoyl)amino]-N-[4-(sulfamoylmethyl)phenyl]benzamide?
The IUPAC name of 4-chloro-2-[(4-fluorobenzoyl)amino]-N-[4-(sulfamoylmethyl)phenyl]benzamide (CID 24669131) is 4-chloro-2-[(4-fluorobenzoyl)amino]-N-[4-(sulfamoylmethyl)phenyl]benzamide.
What is the SMILES notation for 4-chloro-2-[(4-fluorobenzoyl)amino]-N-[4-(sulfamoylmethyl)phenyl]benzamide?
The canonical SMILES for 4-chloro-2-[(4-fluorobenzoyl)amino]-N-[4-(sulfamoylmethyl)phenyl]benzamide is NS(=O)(=O)Cc1ccc(NC(=O)c2ccc(Cl)cc2NC(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 4-chloro-2-[(4-fluorobenzoyl)amino]-N-[4-(sulfamoylmethyl)phenyl]benzamide?
The InChIKey is VQPXGKRRBIGCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClFN3O4S/c22-15-5-10-18(19(11-15)26-20(27)14-3-6-16(23)7-4-14)21(28)25-17-8-1-13(2-9-17)12-31(24,29)30/h1-11H,12H2,(H,25,28)(H,26,27)(H2,24,29,30).
What are the key properties of 4-chloro-2-[(4-fluorobenzoyl)amino]-N-[4-(sulfamoylmethyl)phenyl]benzamide?
4-chloro-2-[(4-fluorobenzoyl)amino]-N-[4-(sulfamoylmethyl)phenyl]benzamide has a molecular weight of 461.90 g/mol, XLogP of 3.77, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(4-fluorobenzoyl)amino]-N-[4-(sulfamoylmethyl)phenyl]benzamide is sourced from PubChem (CID 24669131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).