3-[(3-fluorophenyl)sulfamoyl]-N,2-dimethyl-N-phenylpropanamide

C17H19FN2O3S — CID 110417500

IUPAC3-[(3-fluorophenyl)sulfamoyl]-N,2-dimethyl-N-phenylpropanamide
SMILESCC(CS(=O)(=O)Nc1cccc(F)c1)C(=O)N(C)c1ccccc1
InChIInChI=1S/C17H19FN2O3S/c1-13(17(21)20(2)16-9-4-3-5-10-16)12-24(22,23)19-15-8-6-7-14(18)11-15/h3-11,13,19H,12H2,1-2H3
InChIKeyJBZQNOCOQAIMBA-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.87
Rot. Bonds6

About 3-[(3-fluorophenyl)sulfamoyl]-N,2-dimethyl-N-phenylpropanamide

3-[(3-fluorophenyl)sulfamoyl]-N,2-dimethyl-N-phenylpropanamide (PubChem CID 110417500) has the molecular formula C17H19FN2O3S and a molecular weight of 350.42 g/mol. Its IUPAC name is 3-[(3-fluorophenyl)sulfamoyl]-N,2-dimethyl-N-phenylpropanamide.

Molecular Properties

Compound Name3-[(3-fluorophenyl)sulfamoyl]-N,2-dimethyl-N-phenylpropanamide
PubChem CID110417500
Molecular FormulaC17H19FN2O3S
Molecular Weight350.42 g/mol
Exact Mass350.11
IUPAC Name3-[(3-fluorophenyl)sulfamoyl]-N,2-dimethyl-N-phenylpropanamide
SMILESCC(CS(=O)(=O)Nc1cccc(F)c1)C(=O)N(C)c1ccccc1
InChIInChI=1S/C17H19FN2O3S/c1-13(17(21)20(2)16-9-4-3-5-10-16)12-24(22,23)19-15-8-6-7-14(18)11-15/h3-11,13,19H,12H2,1-2H3
InChIKeyJBZQNOCOQAIMBA-UHFFFAOYSA-N
XLogP2.87
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-fluorophenyl)sulfamoyl]-2-methyl-N-[2-(methylsulfamoyl)ethyl]propanamide
CID 110631787
3-[(3-fluorophenyl)sulfamoyl]-N-(2-hydroxy-2-methylpropyl)-2-methylpropanamide
CID 110626814
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(3-fluorophenyl)sulfamoyl]-2-methylpropanamide
CID 110426408
3-[(3-fluorophenyl)sulfamoyl]-N-(4-methoxybutyl)-2-methylpropanamide
CID 110610179
(2R)-2-[4-[2-(3-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-methyl-N-phenylpropanamide
CID 9433591
N-benzyl-3-[(3-methoxyphenyl)sulfamoyl]-N,2-dimethylpropanamide
CID 110409522
3-[(3-fluorophenyl)sulfamoyl]-N-[3-(4-hydroxyphenyl)propyl]-2-methylpropanamide
CID 110612014
N-(4-chloro-2-methylphenyl)-3-[(3-fluorophenyl)sulfamoyl]-2-methylpropanamide
CID 110420926
N-(3-fluorophenyl)-2-methyl-3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropane-1-sulfonamide
CID 110609311
N-(3-fluorophenyl)-N-methyl-2-sulfanylpropanamide
CID 107027780
(2R)-2-[4-[2-(3-fluoroanilino)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-methyl-N-phenylpropanamide
CID 9433590
(2S)-2-[(S)-(3-fluorophenyl)methylsulfinyl]-N-methyl-N-phenylpropanamide
CID 95599553

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenyl)sulfamoyl]-N,2-dimethyl-N-phenylpropanamide?
The IUPAC name of 3-[(3-fluorophenyl)sulfamoyl]-N,2-dimethyl-N-phenylpropanamide (CID 110417500) is 3-[(3-fluorophenyl)sulfamoyl]-N,2-dimethyl-N-phenylpropanamide.
What is the SMILES notation for 3-[(3-fluorophenyl)sulfamoyl]-N,2-dimethyl-N-phenylpropanamide?
The canonical SMILES for 3-[(3-fluorophenyl)sulfamoyl]-N,2-dimethyl-N-phenylpropanamide is CC(CS(=O)(=O)Nc1cccc(F)c1)C(=O)N(C)c1ccccc1.
What is the InChIKey of 3-[(3-fluorophenyl)sulfamoyl]-N,2-dimethyl-N-phenylpropanamide?
The InChIKey is JBZQNOCOQAIMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O3S/c1-13(17(21)20(2)16-9-4-3-5-10-16)12-24(22,23)19-15-8-6-7-14(18)11-15/h3-11,13,19H,12H2,1-2H3.
What are the key properties of 3-[(3-fluorophenyl)sulfamoyl]-N,2-dimethyl-N-phenylpropanamide?
3-[(3-fluorophenyl)sulfamoyl]-N,2-dimethyl-N-phenylpropanamide has a molecular weight of 350.42 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenyl)sulfamoyl]-N,2-dimethyl-N-phenylpropanamide is sourced from PubChem (CID 110417500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).