2,4-difluoro-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide

C16H16F2N2O3S — CID 46635547

IUPAC2,4-difluoro-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
SMILESCC(c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)c1ccc(F)cc1F
InChIInChI=1S/C16H16F2N2O3S/c1-10(11-3-6-13(7-4-11)24(19,22)23)20(2)16(21)14-8-5-12(17)9-15(14)18/h3-10H,1-2H3,(H2,19,22,23)
InChIKeyMBMKSVYDRATEBA-UHFFFAOYSA-N
MW354.38 g/mol
LogP2.45
Rot. Bonds4

About 2,4-difluoro-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide

2,4-difluoro-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide (PubChem CID 46635547) has the molecular formula C16H16F2N2O3S and a molecular weight of 354.38 g/mol. Its IUPAC name is 2,4-difluoro-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
PubChem CID46635547
Molecular FormulaC16H16F2N2O3S
Molecular Weight354.38 g/mol
Exact Mass354.08
IUPAC Name2,4-difluoro-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
SMILESCC(c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)c1ccc(F)cc1F
InChIInChI=1S/C16H16F2N2O3S/c1-10(11-3-6-13(7-4-11)24(19,22)23)20(2)16(21)14-8-5-12(17)9-15(14)18/h3-10H,1-2H3,(H2,19,22,23)
InChIKeyMBMKSVYDRATEBA-UHFFFAOYSA-N
XLogP2.45
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-difluoro-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 75870193
N,2-dimethyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 46635530
2,4-difluoro-N-methyl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 8820407
3,5-dimethoxy-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 51253856
4-iodo-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 42919716
2-fluoro-N-methyl-5-(methylsulfamoyl)-N-[1-(3-sulfamoylphenyl)ethyl]benzamide
CID 56532417
2-chloro-N-methyl-N-[(1R)-1-[4-[(R)-methylsulfinyl]phenyl]ethyl]-4-sulfamoylbenzamide
CID 124742673
3-bromo-N-methyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]benzamide
CID 34735400
3-chloro-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 46635500
3-fluoro-4-(2-methylpropanoyl)benzenesulfonamide
CID 70968674
N,3-dimethyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide
CID 34734892
4-[(1S)-1-[(5-fluoro-2-methylphenyl)methyl-methylamino]ethyl]benzenesulfonamide
CID 124885486

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide?
The IUPAC name of 2,4-difluoro-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide (CID 46635547) is 2,4-difluoro-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide?
The canonical SMILES for 2,4-difluoro-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide is CC(c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide?
The InChIKey is MBMKSVYDRATEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O3S/c1-10(11-3-6-13(7-4-11)24(19,22)23)20(2)16(21)14-8-5-12(17)9-15(14)18/h3-10H,1-2H3,(H2,19,22,23).
What are the key properties of 2,4-difluoro-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide?
2,4-difluoro-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide has a molecular weight of 354.38 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide is sourced from PubChem (CID 46635547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).