4-[2-(4-fluorophenyl)ethylsulfamoyl]-N-propan-2-ylbenzamide

C18H21FN2O3S — CID 109058149

IUPAC4-[2-(4-fluorophenyl)ethylsulfamoyl]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(S(=O)(=O)NCCc2ccc(F)cc2)cc1
InChIInChI=1S/C18H21FN2O3S/c1-13(2)21-18(22)15-5-9-17(10-6-15)25(23,24)20-12-11-14-3-7-16(19)8-4-14/h3-10,13,20H,11-12H2,1-2H3,(H,21,22)
InChIKeyDKWNZKASEVGMCY-UHFFFAOYSA-N
MW364.44 g/mol
LogP2.48
Rot. Bonds7

About 4-[2-(4-fluorophenyl)ethylsulfamoyl]-N-propan-2-ylbenzamide

4-[2-(4-fluorophenyl)ethylsulfamoyl]-N-propan-2-ylbenzamide (PubChem CID 109058149) has the molecular formula C18H21FN2O3S and a molecular weight of 364.44 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)ethylsulfamoyl]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)ethylsulfamoyl]-N-propan-2-ylbenzamide
PubChem CID109058149
Molecular FormulaC18H21FN2O3S
Molecular Weight364.44 g/mol
Exact Mass364.13
IUPAC Name4-[2-(4-fluorophenyl)ethylsulfamoyl]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(S(=O)(=O)NCCc2ccc(F)cc2)cc1
InChIInChI=1S/C18H21FN2O3S/c1-13(2)21-18(22)15-5-9-17(10-6-15)25(23,24)20-12-11-14-3-7-16(19)8-4-14/h3-10,13,20H,11-12H2,1-2H3,(H,21,22)
InChIKeyDKWNZKASEVGMCY-UHFFFAOYSA-N
XLogP2.48
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetyl-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide
CID 7510309
4-[2-(4-fluorophenyl)ethylsulfamoyl]-N-phenylbenzamide
CID 109061048
N-[2-(4-butanoylphenyl)ethyl]-4-fluorobenzenesulfonamide
CID 70422383
4-[2-(4-fluorophenyl)ethylsulfamoyl]-N-prop-2-enylbenzamide
CID 109058444
N-[2-(4-fluorophenyl)ethyl]-4-[(4-fluorophenyl)sulfonylamino]benzamide
CID 9164370
4-bromo-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide
CID 1320970
N-propan-2-yl-4-(prop-2-ynylsulfamoyl)benzamide
CID 51297855
3-[(4-fluorophenyl)methylsulfamoyl]-N-propan-2-ylbenzamide
CID 109062141
N-[2-(4-fluorophenyl)ethyl]-N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]acetamide
CID 113055789
N-(3-methylbutyl)-4-(2-phenylethylsulfamoyl)benzamide
CID 109061010
N-[2-(4-fluorophenyl)ethyl]-4-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 26796078
4-fluoro-N-[[4-(2-phenylethylsulfamoyl)phenyl]carbamothioyl]benzamide
CID 5191610

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenyl)ethylsulfamoyl]-N-propan-2-ylbenzamide?
The IUPAC name of 4-[2-(4-fluorophenyl)ethylsulfamoyl]-N-propan-2-ylbenzamide (CID 109058149) is 4-[2-(4-fluorophenyl)ethylsulfamoyl]-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-[2-(4-fluorophenyl)ethylsulfamoyl]-N-propan-2-ylbenzamide?
The canonical SMILES for 4-[2-(4-fluorophenyl)ethylsulfamoyl]-N-propan-2-ylbenzamide is CC(C)NC(=O)c1ccc(S(=O)(=O)NCCc2ccc(F)cc2)cc1.
What is the InChIKey of 4-[2-(4-fluorophenyl)ethylsulfamoyl]-N-propan-2-ylbenzamide?
The InChIKey is DKWNZKASEVGMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O3S/c1-13(2)21-18(22)15-5-9-17(10-6-15)25(23,24)20-12-11-14-3-7-16(19)8-4-14/h3-10,13,20H,11-12H2,1-2H3,(H,21,22).
What are the key properties of 4-[2-(4-fluorophenyl)ethylsulfamoyl]-N-propan-2-ylbenzamide?
4-[2-(4-fluorophenyl)ethylsulfamoyl]-N-propan-2-ylbenzamide has a molecular weight of 364.44 g/mol, XLogP of 2.48, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenyl)ethylsulfamoyl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 109058149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).