3-(dimethylsulfamoyl)-4-fluoro-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide

C18H21FN2O5S2 — CID 55792937

IUPAC3-(dimethylsulfamoyl)-4-fluoro-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
SMILESCC(NC(=O)c1ccc(F)c(S(=O)(=O)N(C)C)c1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C18H21FN2O5S2/c1-12(13-5-8-15(9-6-13)27(4,23)24)20-18(22)14-7-10-16(19)17(11-14)28(25,26)21(2)3/h5-12H,1-4H3,(H,20,22)
InChIKeyNJVKIUADNDWGAN-UHFFFAOYSA-N
MW428.51 g/mol
LogP1.97
Rot. Bonds6

About 3-(dimethylsulfamoyl)-4-fluoro-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide

3-(dimethylsulfamoyl)-4-fluoro-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide (PubChem CID 55792937) has the molecular formula C18H21FN2O5S2 and a molecular weight of 428.51 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)-4-fluoro-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-(dimethylsulfamoyl)-4-fluoro-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
PubChem CID55792937
Molecular FormulaC18H21FN2O5S2
Molecular Weight428.51 g/mol
Exact Mass428.09
IUPAC Name3-(dimethylsulfamoyl)-4-fluoro-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
SMILESCC(NC(=O)c1ccc(F)c(S(=O)(=O)N(C)C)c1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C18H21FN2O5S2/c1-12(13-5-8-15(9-6-13)27(4,23)24)20-18(22)14-7-10-16(19)17(11-14)28(25,26)21(2)3/h5-12H,1-4H3,(H,20,22)
InChIKeyNJVKIUADNDWGAN-UHFFFAOYSA-N
XLogP1.97
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.51
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]-3-(dimethylsulfamoyl)benzamide
CID 9451752
3-(dimethylsulfamoyl)-N-[1-(4-fluorophenyl)ethyl]-4,5-dimethylbenzamide
CID 134028865
N-[(1S)-1-(4-chlorophenyl)ethyl]-3-(dimethylsulfamoyl)benzamide
CID 7733415
4-chloro-N-[1-(3,4-difluorophenyl)ethyl]-3-methylsulfonylbenzamide
CID 51150850
4-cyano-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 26468106
4-(dimethylsulfamoyl)-N-(1-phenylethyl)benzamide
CID 2914743
3-methoxy-4-methyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 26958285
4-chloro-3-(dimethylsulfamoyl)-N-[(1S)-1-(2-fluorophenyl)ethyl]benzamide
CID 25488003
3-(dimethylsulfamoyl)-4-fluorobenzoic acid
CID 11118373
N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-4-[methoxy(methyl)sulfamoyl]benzamide
CID 55894651
4-methyl-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-3-nitrobenzamide
CID 26468357
4-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide
CID 92672272

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoyl)-4-fluoro-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide?
The IUPAC name of 3-(dimethylsulfamoyl)-4-fluoro-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide (CID 55792937) is 3-(dimethylsulfamoyl)-4-fluoro-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide.
What is the SMILES notation for 3-(dimethylsulfamoyl)-4-fluoro-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide?
The canonical SMILES for 3-(dimethylsulfamoyl)-4-fluoro-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide is CC(NC(=O)c1ccc(F)c(S(=O)(=O)N(C)C)c1)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 3-(dimethylsulfamoyl)-4-fluoro-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide?
The InChIKey is NJVKIUADNDWGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O5S2/c1-12(13-5-8-15(9-6-13)27(4,23)24)20-18(22)14-7-10-16(19)17(11-14)28(25,26)21(2)3/h5-12H,1-4H3,(H,20,22).
What are the key properties of 3-(dimethylsulfamoyl)-4-fluoro-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide?
3-(dimethylsulfamoyl)-4-fluoro-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide has a molecular weight of 428.51 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoyl)-4-fluoro-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide is sourced from PubChem (CID 55792937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).