N-[3-(benzimidazol-1-yl)propyl]-2-[(4-fluorophenyl)sulfonylamino]benzamide

C23H21FN4O3S — CID 17419797

IUPACN-[3-(benzimidazol-1-yl)propyl]-2-[(4-fluorophenyl)sulfonylamino]benzamide
SMILESO=C(NCCCn1cnc2ccccc21)c1ccccc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C23H21FN4O3S/c24-17-10-12-18(13-11-17)32(30,31)27-20-7-2-1-6-19(20)23(29)25-14-5-15-28-16-26-21-8-3-4-9-22(21)28/h1-4,6-13,16,27H,5,14-15H2,(H,25,29)
InChIKeyNAXLDEKVLJVFCZ-UHFFFAOYSA-N
MW452.51 g/mol
LogP3.80
Rot. Bonds8

About N-[3-(benzimidazol-1-yl)propyl]-2-[(4-fluorophenyl)sulfonylamino]benzamide

N-[3-(benzimidazol-1-yl)propyl]-2-[(4-fluorophenyl)sulfonylamino]benzamide (PubChem CID 17419797) has the molecular formula C23H21FN4O3S and a molecular weight of 452.51 g/mol. Its IUPAC name is N-[3-(benzimidazol-1-yl)propyl]-2-[(4-fluorophenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-[3-(benzimidazol-1-yl)propyl]-2-[(4-fluorophenyl)sulfonylamino]benzamide
PubChem CID17419797
Molecular FormulaC23H21FN4O3S
Molecular Weight452.51 g/mol
Exact Mass452.13
IUPAC NameN-[3-(benzimidazol-1-yl)propyl]-2-[(4-fluorophenyl)sulfonylamino]benzamide
SMILESO=C(NCCCn1cnc2ccccc21)c1ccccc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C23H21FN4O3S/c24-17-10-12-18(13-11-17)32(30,31)27-20-7-2-1-6-19(20)23(29)25-14-5-15-28-16-26-21-8-3-4-9-22(21)28/h1-4,6-13,16,27H,5,14-15H2,(H,25,29)
InChIKeyNAXLDEKVLJVFCZ-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]-4-[(4-fluorophenyl)sulfamoyl]benzamide
CID 55407936
2-[(4-fluorophenyl)sulfonylamino]-N-(3-imidazol-1-ylpropyl)benzamide
CID 3615178
N-[3-(benzimidazol-1-yl)propyl]-2,6-difluorobenzamide
CID 86912487
N-[3-(benzimidazol-1-yl)propyl]-4-methylsulfonylbenzamide
CID 51221971
3-[3-(benzimidazol-1-yl)propyl]-1-[(4-fluorophenyl)methyl]-1-methylurea
CID 51274415
N-[3-(cyclopropylmethoxy)propyl]-2-[(4-fluorophenyl)sulfonylamino]benzamide
CID 29238978
2-[(4-fluorophenyl)sulfonylamino]-N-[2-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]benzamide
CID 56543930
2-(benzimidazol-1-yl)-N'-(4-fluorophenyl)sulfonylacetohydrazide
CID 8823013
N-[3-(benzimidazol-1-yl)propyl]-3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carboxamide
CID 24643882
N-[3-(benzimidazol-1-yl)propyl]-5-ethyl-1-phenylpyrazole-4-carboxamide
CID 55569976
N-(benzimidazol-1-ylmethyl)-2-fluorobenzamide
CID 71357542
4-(benzimidazol-1-yl)-1-(4-fluorophenyl)butan-1-one
CID 43218269

Frequently Asked Questions

What is the IUPAC name of N-[3-(benzimidazol-1-yl)propyl]-2-[(4-fluorophenyl)sulfonylamino]benzamide?
The IUPAC name of N-[3-(benzimidazol-1-yl)propyl]-2-[(4-fluorophenyl)sulfonylamino]benzamide (CID 17419797) is N-[3-(benzimidazol-1-yl)propyl]-2-[(4-fluorophenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-[3-(benzimidazol-1-yl)propyl]-2-[(4-fluorophenyl)sulfonylamino]benzamide?
The canonical SMILES for N-[3-(benzimidazol-1-yl)propyl]-2-[(4-fluorophenyl)sulfonylamino]benzamide is O=C(NCCCn1cnc2ccccc21)c1ccccc1NS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-[3-(benzimidazol-1-yl)propyl]-2-[(4-fluorophenyl)sulfonylamino]benzamide?
The InChIKey is NAXLDEKVLJVFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O3S/c24-17-10-12-18(13-11-17)32(30,31)27-20-7-2-1-6-19(20)23(29)25-14-5-15-28-16-26-21-8-3-4-9-22(21)28/h1-4,6-13,16,27H,5,14-15H2,(H,25,29).
What are the key properties of N-[3-(benzimidazol-1-yl)propyl]-2-[(4-fluorophenyl)sulfonylamino]benzamide?
N-[3-(benzimidazol-1-yl)propyl]-2-[(4-fluorophenyl)sulfonylamino]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]-2-[(4-fluorophenyl)sulfonylamino]benzamide is sourced from PubChem (CID 17419797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).