N-(2,4-difluorophenyl)-4-[2-(methanesulfonamido)ethyl]benzamide

C16H16F2N2O3S — CID 27005483

IUPACN-(2,4-difluorophenyl)-4-[2-(methanesulfonamido)ethyl]benzamide
SMILESCS(=O)(=O)NCCc1ccc(C(=O)Nc2ccc(F)cc2F)cc1
InChIInChI=1S/C16H16F2N2O3S/c1-24(22,23)19-9-8-11-2-4-12(5-3-11)16(21)20-15-7-6-13(17)10-14(15)18/h2-7,10,19H,8-9H2,1H3,(H,20,21)
InChIKeyIVFYMWTWETVFRG-UHFFFAOYSA-N
MW354.38 g/mol
LogP2.31
Rot. Bonds6

About N-(2,4-difluorophenyl)-4-[2-(methanesulfonamido)ethyl]benzamide

N-(2,4-difluorophenyl)-4-[2-(methanesulfonamido)ethyl]benzamide (PubChem CID 27005483) has the molecular formula C16H16F2N2O3S and a molecular weight of 354.38 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-4-[2-(methanesulfonamido)ethyl]benzamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-4-[2-(methanesulfonamido)ethyl]benzamide
PubChem CID27005483
Molecular FormulaC16H16F2N2O3S
Molecular Weight354.38 g/mol
Exact Mass354.08
IUPAC NameN-(2,4-difluorophenyl)-4-[2-(methanesulfonamido)ethyl]benzamide
SMILESCS(=O)(=O)NCCc1ccc(C(=O)Nc2ccc(F)cc2F)cc1
InChIInChI=1S/C16H16F2N2O3S/c1-24(22,23)19-9-8-11-2-4-12(5-3-11)16(21)20-15-7-6-13(17)10-14(15)18/h2-7,10,19H,8-9H2,1H3,(H,20,21)
InChIKeyIVFYMWTWETVFRG-UHFFFAOYSA-N
XLogP2.31
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-difluorophenyl)-4-[2-(methanesulfonamido)ethyl]benzamide
CID 17457009
N-(2-chloro-4-fluorophenyl)-4-[2-(methanesulfonamido)ethyl]benzamide
CID 27005558
N-(2,4-difluorophenyl)-4-(methylsulfonylmethyl)benzamide
CID 9095339
N-(4-fluorophenyl)-4-[2-(methanesulfonamido)ethyl]benzamide
CID 18100481
N-(2,4-difluorophenyl)-4-ethylbenzamide
CID 2478391
1-N,4-N-bis(2,4-difluorophenyl)benzene-1,4-dicarboxamide
CID 3596826
4-(acetamidomethyl)-N-(2,4-difluorophenyl)benzamide
CID 18195856
N-(4-acetamidophenyl)-4-[2-(methanesulfonamido)ethyl]benzamide
CID 22109501
N-(2,4-difluorophenyl)-4-(3-methoxypropylsulfamoyl)benzamide
CID 109059952
N-(2,4-difluorophenyl)-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 1290601
4-N-(2,4-difluorophenyl)-1-N-[(4-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046989
N-(2,4-difluorophenyl)-4-propan-2-ylsulfonylbenzamide
CID 41148674

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-4-[2-(methanesulfonamido)ethyl]benzamide?
The IUPAC name of N-(2,4-difluorophenyl)-4-[2-(methanesulfonamido)ethyl]benzamide (CID 27005483) is N-(2,4-difluorophenyl)-4-[2-(methanesulfonamido)ethyl]benzamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-4-[2-(methanesulfonamido)ethyl]benzamide?
The canonical SMILES for N-(2,4-difluorophenyl)-4-[2-(methanesulfonamido)ethyl]benzamide is CS(=O)(=O)NCCc1ccc(C(=O)Nc2ccc(F)cc2F)cc1.
What is the InChIKey of N-(2,4-difluorophenyl)-4-[2-(methanesulfonamido)ethyl]benzamide?
The InChIKey is IVFYMWTWETVFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O3S/c1-24(22,23)19-9-8-11-2-4-12(5-3-11)16(21)20-15-7-6-13(17)10-14(15)18/h2-7,10,19H,8-9H2,1H3,(H,20,21).
What are the key properties of N-(2,4-difluorophenyl)-4-[2-(methanesulfonamido)ethyl]benzamide?
N-(2,4-difluorophenyl)-4-[2-(methanesulfonamido)ethyl]benzamide has a molecular weight of 354.38 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-4-[2-(methanesulfonamido)ethyl]benzamide is sourced from PubChem (CID 27005483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).