N-(benzimidazol-1-yl)-4-[(4-fluorophenyl)sulfamoyl]benzamide

C20H15FN4O3S — CID 17477401

IUPACN-(benzimidazol-1-yl)-4-[(4-fluorophenyl)sulfamoyl]benzamide
SMILESO=C(Nn1cnc2ccccc21)c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C20H15FN4O3S/c21-15-7-9-16(10-8-15)24-29(27,28)17-11-5-14(6-12-17)20(26)23-25-13-22-18-3-1-2-4-19(18)25/h1-13,24H,(H,23,26)
InChIKeyFUFSFJCZJKVVKL-UHFFFAOYSA-N
MW410.43 g/mol
LogP3.36
Rot. Bonds5

About N-(benzimidazol-1-yl)-4-[(4-fluorophenyl)sulfamoyl]benzamide

N-(benzimidazol-1-yl)-4-[(4-fluorophenyl)sulfamoyl]benzamide (PubChem CID 17477401) has the molecular formula C20H15FN4O3S and a molecular weight of 410.43 g/mol. Its IUPAC name is N-(benzimidazol-1-yl)-4-[(4-fluorophenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(benzimidazol-1-yl)-4-[(4-fluorophenyl)sulfamoyl]benzamide
PubChem CID17477401
Molecular FormulaC20H15FN4O3S
Molecular Weight410.43 g/mol
Exact Mass410.08
IUPAC NameN-(benzimidazol-1-yl)-4-[(4-fluorophenyl)sulfamoyl]benzamide
SMILESO=C(Nn1cnc2ccccc21)c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C20H15FN4O3S/c21-15-7-9-16(10-8-15)24-29(27,28)17-11-5-14(6-12-17)20(26)23-25-13-22-18-3-1-2-4-19(18)25/h1-13,24H,(H,23,26)
InChIKeyFUFSFJCZJKVVKL-UHFFFAOYSA-N
XLogP3.36
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(benzimidazol-1-yl)-4-[(4-fluorophenyl)sulfamoyl]benzamide?
The IUPAC name of N-(benzimidazol-1-yl)-4-[(4-fluorophenyl)sulfamoyl]benzamide (CID 17477401) is N-(benzimidazol-1-yl)-4-[(4-fluorophenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(benzimidazol-1-yl)-4-[(4-fluorophenyl)sulfamoyl]benzamide?
The canonical SMILES for N-(benzimidazol-1-yl)-4-[(4-fluorophenyl)sulfamoyl]benzamide is O=C(Nn1cnc2ccccc21)c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1.
What is the InChIKey of N-(benzimidazol-1-yl)-4-[(4-fluorophenyl)sulfamoyl]benzamide?
The InChIKey is FUFSFJCZJKVVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O3S/c21-15-7-9-16(10-8-15)24-29(27,28)17-11-5-14(6-12-17)20(26)23-25-13-22-18-3-1-2-4-19(18)25/h1-13,24H,(H,23,26).
What are the key properties of N-(benzimidazol-1-yl)-4-[(4-fluorophenyl)sulfamoyl]benzamide?
N-(benzimidazol-1-yl)-4-[(4-fluorophenyl)sulfamoyl]benzamide has a molecular weight of 410.43 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzimidazol-1-yl)-4-[(4-fluorophenyl)sulfamoyl]benzamide is sourced from PubChem (CID 17477401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).