2-(4-fluorobenzoyl)-N-(4-methoxy-3-sulfamoylphenyl)benzamide

C21H17FN2O5S — CID 55551358

IUPAC2-(4-fluorobenzoyl)-N-(4-methoxy-3-sulfamoylphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccccc2C(=O)c2ccc(F)cc2)cc1S(N)(=O)=O
InChIInChI=1S/C21H17FN2O5S/c1-29-18-11-10-15(12-19(18)30(23,27)28)24-21(26)17-5-3-2-4-16(17)20(25)13-6-8-14(22)9-7-13/h2-12H,1H3,(H,24,26)(H2,23,27,28)
InChIKeyMFVGXZFBZTWYFU-UHFFFAOYSA-N
MW428.44 g/mol
LogP2.96
Rot. Bonds6

About 2-(4-fluorobenzoyl)-N-(4-methoxy-3-sulfamoylphenyl)benzamide

2-(4-fluorobenzoyl)-N-(4-methoxy-3-sulfamoylphenyl)benzamide (PubChem CID 55551358) has the molecular formula C21H17FN2O5S and a molecular weight of 428.44 g/mol. Its IUPAC name is 2-(4-fluorobenzoyl)-N-(4-methoxy-3-sulfamoylphenyl)benzamide.

Molecular Properties

Compound Name2-(4-fluorobenzoyl)-N-(4-methoxy-3-sulfamoylphenyl)benzamide
PubChem CID55551358
Molecular FormulaC21H17FN2O5S
Molecular Weight428.44 g/mol
Exact Mass428.08
IUPAC Name2-(4-fluorobenzoyl)-N-(4-methoxy-3-sulfamoylphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccccc2C(=O)c2ccc(F)cc2)cc1S(N)(=O)=O
InChIInChI=1S/C21H17FN2O5S/c1-29-18-11-10-15(12-19(18)30(23,27)28)24-21(26)17-5-3-2-4-16(17)20(25)13-6-8-14(22)9-7-13/h2-12H,1H3,(H,24,26)(H2,23,27,28)
InChIKeyMFVGXZFBZTWYFU-UHFFFAOYSA-N
XLogP2.96
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.44
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-chloro-5-[[2-(4-fluorobenzoyl)benzoyl]amino]benzoate
CID 34164218
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CID 36859467
N-(4-methoxy-3-sulfamoylphenyl)-1-benzofuran-2-carboxamide
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N-(4-methoxy-3-sulfamoylphenyl)-2,2-dimethylpropanamide
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2-methoxy-5-methyl-N-(4-methyl-3-sulfamoylphenyl)benzamide
CID 9257170
N-(4-methoxy-3-sulfamoylphenyl)-1-methylpyrrole-2-carboxamide
CID 60631248
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CID 4789220

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorobenzoyl)-N-(4-methoxy-3-sulfamoylphenyl)benzamide?
The IUPAC name of 2-(4-fluorobenzoyl)-N-(4-methoxy-3-sulfamoylphenyl)benzamide (CID 55551358) is 2-(4-fluorobenzoyl)-N-(4-methoxy-3-sulfamoylphenyl)benzamide.
What is the SMILES notation for 2-(4-fluorobenzoyl)-N-(4-methoxy-3-sulfamoylphenyl)benzamide?
The canonical SMILES for 2-(4-fluorobenzoyl)-N-(4-methoxy-3-sulfamoylphenyl)benzamide is COc1ccc(NC(=O)c2ccccc2C(=O)c2ccc(F)cc2)cc1S(N)(=O)=O.
What is the InChIKey of 2-(4-fluorobenzoyl)-N-(4-methoxy-3-sulfamoylphenyl)benzamide?
The InChIKey is MFVGXZFBZTWYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2O5S/c1-29-18-11-10-15(12-19(18)30(23,27)28)24-21(26)17-5-3-2-4-16(17)20(25)13-6-8-14(22)9-7-13/h2-12H,1H3,(H,24,26)(H2,23,27,28).
What are the key properties of 2-(4-fluorobenzoyl)-N-(4-methoxy-3-sulfamoylphenyl)benzamide?
2-(4-fluorobenzoyl)-N-(4-methoxy-3-sulfamoylphenyl)benzamide has a molecular weight of 428.44 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorobenzoyl)-N-(4-methoxy-3-sulfamoylphenyl)benzamide is sourced from PubChem (CID 55551358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).