2-[(4-fluorophenyl)sulfonylamino]-N-(3-imidazol-1-ylpropyl)benzamide

C19H19FN4O3S — CID 3615178

IUPAC2-[(4-fluorophenyl)sulfonylamino]-N-(3-imidazol-1-ylpropyl)benzamide
SMILESO=C(NCCCn1ccnc1)c1ccccc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C19H19FN4O3S/c20-15-6-8-16(9-7-15)28(26,27)23-18-5-2-1-4-17(18)19(25)22-10-3-12-24-13-11-21-14-24/h1-2,4-9,11,13-14,23H,3,10,12H2,(H,22,25)
InChIKeyPSBPVGWVPNVXCZ-UHFFFAOYSA-N
MW402.45 g/mol
LogP2.64
Rot. Bonds8

About 2-[(4-fluorophenyl)sulfonylamino]-N-(3-imidazol-1-ylpropyl)benzamide

2-[(4-fluorophenyl)sulfonylamino]-N-(3-imidazol-1-ylpropyl)benzamide (PubChem CID 3615178) has the molecular formula C19H19FN4O3S and a molecular weight of 402.45 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)sulfonylamino]-N-(3-imidazol-1-ylpropyl)benzamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)sulfonylamino]-N-(3-imidazol-1-ylpropyl)benzamide
PubChem CID3615178
Molecular FormulaC19H19FN4O3S
Molecular Weight402.45 g/mol
Exact Mass402.12
IUPAC Name2-[(4-fluorophenyl)sulfonylamino]-N-(3-imidazol-1-ylpropyl)benzamide
SMILESO=C(NCCCn1ccnc1)c1ccccc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C19H19FN4O3S/c20-15-6-8-16(9-7-15)28(26,27)23-18-5-2-1-4-17(18)19(25)22-10-3-12-24-13-11-21-14-24/h1-2,4-9,11,13-14,23H,3,10,12H2,(H,22,25)
InChIKeyPSBPVGWVPNVXCZ-UHFFFAOYSA-N
XLogP2.64
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 52.64
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

2-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]-N-(3-imidazol-1-ylpropyl)benzamide
CID 13280089
N-(3-imidazol-1-ylpropyl)-2-[(2,3,4-trichlorophenyl)sulfonylamino]benzamide
CID 13280079
hydron;N-(3-imidazol-1-ylpropyl)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]benzamide;chloride
CID 3000011
2,3-difluoro-N-(3-imidazol-1-ylpropyl)benzamide
CID 62649023
N-[3-(benzimidazol-1-yl)propyl]-2-[(4-fluorophenyl)sulfonylamino]benzamide
CID 17419797
4-fluoro-N-(3-imidazol-1-ylpropyl)benzamide chloride
CID 53351812
2-(2,2-dimethylpropanoylamino)-N-(3-imidazol-1-ylpropyl)benzamide
CID 2929720
3-[(2-chlorophenyl)sulfamoyl]-N-(3-imidazol-1-ylpropyl)benzamide
CID 35513235
N-(2-imidazol-1-ylethyl)-2-(methylamino)benzamide
CID 61375960
1-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 86923114
2-(dimethylamino)-N-(3-imidazol-1-ylpropyl)benzamide
CID 110463562
2-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)quinoline-4-carboxamide
CID 29432371

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)sulfonylamino]-N-(3-imidazol-1-ylpropyl)benzamide?
The IUPAC name of 2-[(4-fluorophenyl)sulfonylamino]-N-(3-imidazol-1-ylpropyl)benzamide (CID 3615178) is 2-[(4-fluorophenyl)sulfonylamino]-N-(3-imidazol-1-ylpropyl)benzamide.
What is the SMILES notation for 2-[(4-fluorophenyl)sulfonylamino]-N-(3-imidazol-1-ylpropyl)benzamide?
The canonical SMILES for 2-[(4-fluorophenyl)sulfonylamino]-N-(3-imidazol-1-ylpropyl)benzamide is O=C(NCCCn1ccnc1)c1ccccc1NS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)sulfonylamino]-N-(3-imidazol-1-ylpropyl)benzamide?
The InChIKey is PSBPVGWVPNVXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O3S/c20-15-6-8-16(9-7-15)28(26,27)23-18-5-2-1-4-17(18)19(25)22-10-3-12-24-13-11-21-14-24/h1-2,4-9,11,13-14,23H,3,10,12H2,(H,22,25).
What are the key properties of 2-[(4-fluorophenyl)sulfonylamino]-N-(3-imidazol-1-ylpropyl)benzamide?
2-[(4-fluorophenyl)sulfonylamino]-N-(3-imidazol-1-ylpropyl)benzamide has a molecular weight of 402.45 g/mol, XLogP of 2.64, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)sulfonylamino]-N-(3-imidazol-1-ylpropyl)benzamide is sourced from PubChem (CID 3615178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).