N-[3-(benzimidazol-1-yl)propyl]-4-[(4-fluorophenyl)sulfamoyl]benzamide

C23H21FN4O3S — CID 55407936

IUPACN-[3-(benzimidazol-1-yl)propyl]-4-[(4-fluorophenyl)sulfamoyl]benzamide
SMILESO=C(NCCCn1cnc2ccccc21)c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C23H21FN4O3S/c24-18-8-10-19(11-9-18)27-32(30,31)20-12-6-17(7-13-20)23(29)25-14-3-15-28-16-26-21-4-1-2-5-22(21)28/h1-2,4-13,16,27H,3,14-15H2,(H,25,29)
InChIKeyRQHLDMHKRNYFMS-UHFFFAOYSA-N
MW452.51 g/mol
LogP3.80
Rot. Bonds8

About N-[3-(benzimidazol-1-yl)propyl]-4-[(4-fluorophenyl)sulfamoyl]benzamide

N-[3-(benzimidazol-1-yl)propyl]-4-[(4-fluorophenyl)sulfamoyl]benzamide (PubChem CID 55407936) has the molecular formula C23H21FN4O3S and a molecular weight of 452.51 g/mol. Its IUPAC name is N-[3-(benzimidazol-1-yl)propyl]-4-[(4-fluorophenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[3-(benzimidazol-1-yl)propyl]-4-[(4-fluorophenyl)sulfamoyl]benzamide
PubChem CID55407936
Molecular FormulaC23H21FN4O3S
Molecular Weight452.51 g/mol
Exact Mass452.13
IUPAC NameN-[3-(benzimidazol-1-yl)propyl]-4-[(4-fluorophenyl)sulfamoyl]benzamide
SMILESO=C(NCCCn1cnc2ccccc21)c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C23H21FN4O3S/c24-18-8-10-19(11-9-18)27-32(30,31)20-12-6-17(7-13-20)23(29)25-14-3-15-28-16-26-21-4-1-2-5-22(21)28/h1-2,4-13,16,27H,3,14-15H2,(H,25,29)
InChIKeyRQHLDMHKRNYFMS-UHFFFAOYSA-N
XLogP3.80
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.51
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(benzimidazol-1-yl)propyl]-2-[(4-fluorophenyl)sulfonylamino]benzamide
CID 17419797
N-[3-(benzimidazol-1-yl)propyl]-4-methylsulfonylbenzamide
CID 51221971
N-[3-(benzimidazol-1-yl)propyl]-2,6-difluorobenzamide
CID 86912487
N-[3-(benzimidazol-1-yl)propyl]-4-ethoxybenzamide
CID 17499528
4-(acetamidomethyl)-N-[3-(benzimidazol-1-yl)propyl]benzamide
CID 17486518
4-[(4-fluorophenyl)sulfonylamino]-N-(2-phenoxyethyl)benzamide
CID 27758316
N-[3-(dimethylamino)propyl]-4-[(4-fluorophenyl)sulfamoyl]benzamide
CID 109060264
4-(benzimidazol-1-yl)-1-(4-fluorophenyl)butan-1-one
CID 43218269
N-[2-(4-fluorophenyl)ethyl]-4-[(4-fluorophenyl)sulfonylamino]benzamide
CID 9164370
N-[4-[2-(benzimidazol-1-yl)ethyl]phenyl]benzenesulfonamide
CID 171418978
4-[(4-fluorophenyl)sulfamoyl]-N-(2-phenylsulfanylethyl)benzamide
CID 26444549
N-(3-ethoxypropyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide
CID 17477773

Frequently Asked Questions

What is the IUPAC name of N-[3-(benzimidazol-1-yl)propyl]-4-[(4-fluorophenyl)sulfamoyl]benzamide?
The IUPAC name of N-[3-(benzimidazol-1-yl)propyl]-4-[(4-fluorophenyl)sulfamoyl]benzamide (CID 55407936) is N-[3-(benzimidazol-1-yl)propyl]-4-[(4-fluorophenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[3-(benzimidazol-1-yl)propyl]-4-[(4-fluorophenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[3-(benzimidazol-1-yl)propyl]-4-[(4-fluorophenyl)sulfamoyl]benzamide is O=C(NCCCn1cnc2ccccc21)c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1.
What is the InChIKey of N-[3-(benzimidazol-1-yl)propyl]-4-[(4-fluorophenyl)sulfamoyl]benzamide?
The InChIKey is RQHLDMHKRNYFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O3S/c24-18-8-10-19(11-9-18)27-32(30,31)20-12-6-17(7-13-20)23(29)25-14-3-15-28-16-26-21-4-1-2-5-22(21)28/h1-2,4-13,16,27H,3,14-15H2,(H,25,29).
What are the key properties of N-[3-(benzimidazol-1-yl)propyl]-4-[(4-fluorophenyl)sulfamoyl]benzamide?
N-[3-(benzimidazol-1-yl)propyl]-4-[(4-fluorophenyl)sulfamoyl]benzamide has a molecular weight of 452.51 g/mol, XLogP of 3.80, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(benzimidazol-1-yl)propyl]-4-[(4-fluorophenyl)sulfamoyl]benzamide is sourced from PubChem (CID 55407936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).