4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-hexylbenzamide

C19H22ClFN2O3S — CID 32646922

IUPAC4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-hexylbenzamide
SMILESCCCCCCNC(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C19H22ClFN2O3S/c1-2-3-4-5-12-22-19(24)14-6-11-17(20)18(13-14)23-27(25,26)16-9-7-15(21)8-10-16/h6-11,13,23H,2-5,12H2,1H3,(H,22,24)
InChIKeyMZPHVGLQPRXAGN-UHFFFAOYSA-N
MW412.91 g/mol
LogP4.59
Rot. Bonds9

About 4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-hexylbenzamide

4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-hexylbenzamide (PubChem CID 32646922) has the molecular formula C19H22ClFN2O3S and a molecular weight of 412.91 g/mol. Its IUPAC name is 4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-hexylbenzamide.

Molecular Properties

Compound Name4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-hexylbenzamide
PubChem CID32646922
Molecular FormulaC19H22ClFN2O3S
Molecular Weight412.91 g/mol
Exact Mass412.10
IUPAC Name4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-hexylbenzamide
SMILESCCCCCCNC(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C19H22ClFN2O3S/c1-2-3-4-5-12-22-19(24)14-6-11-17(20)18(13-14)23-27(25,26)16-9-7-15(21)8-10-16/h6-11,13,23H,2-5,12H2,1H3,(H,22,24)
InChIKeyMZPHVGLQPRXAGN-UHFFFAOYSA-N
XLogP4.59
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.91
LogP ≤ 54.59
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

4-chloro-3-(methanesulfonamido)-N-nonylbenzamide
CID 60604741
4-chloro-N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-3-[(4-fluorophenyl)sulfonylamino]benzamide
CID 166180565
N-benzyl-4-chloro-3-[(4-fluorophenyl)sulfonylamino]benzamide
CID 27670254
N-butyl-3-chloro-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 99950233
4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide
CID 47080388
4-[(3,4-dichlorophenyl)sulfonylamino]-N-pentylbenzamide
CID 18279871
4-chloro-N-(2-chlorophenyl)-3-[(4-fluorophenyl)sulfonylamino]benzamide
CID 30879902
4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-[[3-(methoxymethyl)phenyl]methyl]benzamide
CID 55727433
3-[(4-fluorophenyl)sulfamoyl]-N-pentylbenzamide
CID 7964289
4-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]-3-[(4-fluorophenyl)sulfonylamino]benzamide
CID 27773510
4-chloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-[(4-fluorophenyl)sulfonylamino]benzamide
CID 2548852
4-[(2,4-dimethylphenyl)sulfamoyl]-N-pentylbenzamide
CID 109061332

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-hexylbenzamide?
The IUPAC name of 4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-hexylbenzamide (CID 32646922) is 4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-hexylbenzamide.
What is the SMILES notation for 4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-hexylbenzamide?
The canonical SMILES for 4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-hexylbenzamide is CCCCCCNC(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1.
What is the InChIKey of 4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-hexylbenzamide?
The InChIKey is MZPHVGLQPRXAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClFN2O3S/c1-2-3-4-5-12-22-19(24)14-6-11-17(20)18(13-14)23-27(25,26)16-9-7-15(21)8-10-16/h6-11,13,23H,2-5,12H2,1H3,(H,22,24).
What are the key properties of 4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-hexylbenzamide?
4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-hexylbenzamide has a molecular weight of 412.91 g/mol, XLogP of 4.59, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-hexylbenzamide is sourced from PubChem (CID 32646922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).