3-[(4-fluorophenyl)sulfamoyl]-N-pentylbenzamide

C18H21FN2O3S — CID 7964289

IUPAC3-[(4-fluorophenyl)sulfamoyl]-N-pentylbenzamide
SMILESCCCCCNC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C18H21FN2O3S/c1-2-3-4-12-20-18(22)14-6-5-7-17(13-14)25(23,24)21-16-10-8-15(19)9-11-16/h5-11,13,21H,2-4,12H2,1H3,(H,20,22)
InChIKeyLBGLIQFOWRGMSO-UHFFFAOYSA-N
MW364.44 g/mol
LogP3.55
Rot. Bonds8

About 3-[(4-fluorophenyl)sulfamoyl]-N-pentylbenzamide

3-[(4-fluorophenyl)sulfamoyl]-N-pentylbenzamide (PubChem CID 7964289) has the molecular formula C18H21FN2O3S and a molecular weight of 364.44 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)sulfamoyl]-N-pentylbenzamide.

Molecular Properties

Compound Name3-[(4-fluorophenyl)sulfamoyl]-N-pentylbenzamide
PubChem CID7964289
Molecular FormulaC18H21FN2O3S
Molecular Weight364.44 g/mol
Exact Mass364.13
IUPAC Name3-[(4-fluorophenyl)sulfamoyl]-N-pentylbenzamide
SMILESCCCCCNC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C18H21FN2O3S/c1-2-3-4-12-20-18(22)14-6-5-7-17(13-14)25(23,24)21-16-10-8-15(19)9-11-16/h5-11,13,21H,2-4,12H2,1H3,(H,20,22)
InChIKeyLBGLIQFOWRGMSO-UHFFFAOYSA-N
XLogP3.55
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(3-acetylphenyl)sulfamoyl]-N-pentylbenzamide
CID 109065428
methyl 4-[[3-(butylcarbamoyl)phenyl]sulfonylamino]benzoate
CID 109062626
3-[(2,6-dimethylphenyl)sulfamoyl]-N-pentylbenzamide
CID 109065412
3-[(4-fluorophenyl)sulfamoyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 25161910
3-(ethylsulfamoyl)-N-hexylbenzamide
CID 46538065
N-[(2R)-2-(ethylamino)propyl]-3-[(4-fluorophenyl)sulfamoyl]benzamide
CID 120651903
5-[[3-[(4-methylphenyl)sulfamoyl]benzoyl]amino]pentanoic acid
CID 119235246
3-[(4-fluorophenyl)sulfamoyl]-N-[(2S)-2-phenylpropyl]benzamide
CID 9302470
3-[(3-fluorophenyl)sulfamoyl]-N-(3-methoxypropyl)benzamide
CID 109063851
3-[(3,4-dichlorophenyl)sulfonylamino]-N-pentylbenzamide
CID 7908049
3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]-N-pentylbenzamide
CID 39157474
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-[(4-fluorophenyl)sulfamoyl]benzamide
CID 27760581

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)sulfamoyl]-N-pentylbenzamide?
The IUPAC name of 3-[(4-fluorophenyl)sulfamoyl]-N-pentylbenzamide (CID 7964289) is 3-[(4-fluorophenyl)sulfamoyl]-N-pentylbenzamide.
What is the SMILES notation for 3-[(4-fluorophenyl)sulfamoyl]-N-pentylbenzamide?
The canonical SMILES for 3-[(4-fluorophenyl)sulfamoyl]-N-pentylbenzamide is CCCCCNC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1.
What is the InChIKey of 3-[(4-fluorophenyl)sulfamoyl]-N-pentylbenzamide?
The InChIKey is LBGLIQFOWRGMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O3S/c1-2-3-4-12-20-18(22)14-6-5-7-17(13-14)25(23,24)21-16-10-8-15(19)9-11-16/h5-11,13,21H,2-4,12H2,1H3,(H,20,22).
What are the key properties of 3-[(4-fluorophenyl)sulfamoyl]-N-pentylbenzamide?
3-[(4-fluorophenyl)sulfamoyl]-N-pentylbenzamide has a molecular weight of 364.44 g/mol, XLogP of 3.55, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)sulfamoyl]-N-pentylbenzamide is sourced from PubChem (CID 7964289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).