3-[[4-(4-fluorophenyl)-4-oxobutan-2-yl]sulfamoyl]-N,N-dimethylbenzamide

C19H21FN2O4S — CID 75394970

IUPAC3-[[4-(4-fluorophenyl)-4-oxobutan-2-yl]sulfamoyl]-N,N-dimethylbenzamide
SMILESCC(CC(=O)c1ccc(F)cc1)NS(=O)(=O)c1cccc(C(=O)N(C)C)c1
InChIInChI=1S/C19H21FN2O4S/c1-13(11-18(23)14-7-9-16(20)10-8-14)21-27(25,26)17-6-4-5-15(12-17)19(24)22(2)3/h4-10,12-13,21H,11H2,1-3H3
InChIKeyVUJKVSGSISYCRL-UHFFFAOYSA-N
MW392.45 g/mol
LogP2.47
Rot. Bonds7

About 3-[[4-(4-fluorophenyl)-4-oxobutan-2-yl]sulfamoyl]-N,N-dimethylbenzamide

3-[[4-(4-fluorophenyl)-4-oxobutan-2-yl]sulfamoyl]-N,N-dimethylbenzamide (PubChem CID 75394970) has the molecular formula C19H21FN2O4S and a molecular weight of 392.45 g/mol. Its IUPAC name is 3-[[4-(4-fluorophenyl)-4-oxobutan-2-yl]sulfamoyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[[4-(4-fluorophenyl)-4-oxobutan-2-yl]sulfamoyl]-N,N-dimethylbenzamide
PubChem CID75394970
Molecular FormulaC19H21FN2O4S
Molecular Weight392.45 g/mol
Exact Mass392.12
IUPAC Name3-[[4-(4-fluorophenyl)-4-oxobutan-2-yl]sulfamoyl]-N,N-dimethylbenzamide
SMILESCC(CC(=O)c1ccc(F)cc1)NS(=O)(=O)c1cccc(C(=O)N(C)C)c1
InChIInChI=1S/C19H21FN2O4S/c1-13(11-18(23)14-7-9-16(20)10-8-14)21-27(25,26)17-6-4-5-15(12-17)19(24)22(2)3/h4-10,12-13,21H,11H2,1-3H3
InChIKeyVUJKVSGSISYCRL-UHFFFAOYSA-N
XLogP2.47
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.45
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[(2S)-4-(4-fluorophenyl)-4-oxobutan-2-yl]benzenesulfonamide
CID 97250225
N-[1-(4-fluorophenyl)ethyl]-N-methyl-3-(propan-2-ylsulfamoyl)benzamide
CID 46691310
3-(butan-2-ylsulfamoyl)-N-[(4-fluorophenyl)methyl]benzamide
CID 109062897
3-[(5-fluoro-2-methylphenyl)sulfamoyl]-N,N-dimethylbenzamide
CID 87026306
N-[(4-fluorophenyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 26796224
3-[[2-(dimethylamino)-1-phenylethyl]sulfamoyl]-N,N-dimethylbenzamide
CID 87024649
N-benzyl-3-(butan-2-ylsulfamoyl)-N-methylbenzamide
CID 109062895
N-[2-(dimethylamino)-2-oxoethyl]-3-[(4-fluorophenyl)sulfamoyl]-N-methylbenzamide
CID 9227015
[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 3-(propan-2-ylsulfamoyl)benzoate
CID 7768294
N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-3-(methylsulfamoyl)benzamide
CID 9440801
N-pentan-2-yl-3-propanoylbenzenesulfonamide
CID 60872867
N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-3-(propan-2-ylsulfamoyl)benzamide
CID 9439272

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(4-fluorophenyl)-4-oxobutan-2-yl]sulfamoyl]-N,N-dimethylbenzamide?
The IUPAC name of 3-[[4-(4-fluorophenyl)-4-oxobutan-2-yl]sulfamoyl]-N,N-dimethylbenzamide (CID 75394970) is 3-[[4-(4-fluorophenyl)-4-oxobutan-2-yl]sulfamoyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[[4-(4-fluorophenyl)-4-oxobutan-2-yl]sulfamoyl]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[[4-(4-fluorophenyl)-4-oxobutan-2-yl]sulfamoyl]-N,N-dimethylbenzamide is CC(CC(=O)c1ccc(F)cc1)NS(=O)(=O)c1cccc(C(=O)N(C)C)c1.
What is the InChIKey of 3-[[4-(4-fluorophenyl)-4-oxobutan-2-yl]sulfamoyl]-N,N-dimethylbenzamide?
The InChIKey is VUJKVSGSISYCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O4S/c1-13(11-18(23)14-7-9-16(20)10-8-14)21-27(25,26)17-6-4-5-15(12-17)19(24)22(2)3/h4-10,12-13,21H,11H2,1-3H3.
What are the key properties of 3-[[4-(4-fluorophenyl)-4-oxobutan-2-yl]sulfamoyl]-N,N-dimethylbenzamide?
3-[[4-(4-fluorophenyl)-4-oxobutan-2-yl]sulfamoyl]-N,N-dimethylbenzamide has a molecular weight of 392.45 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(4-fluorophenyl)-4-oxobutan-2-yl]sulfamoyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 75394970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).