N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2,6-difluorobenzamide

C19H22F2N2O3S — CID 51151532

IUPACN-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2,6-difluorobenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(C)NC(=O)c2c(F)cccc2F)cc1
InChIInChI=1S/C19H22F2N2O3S/c1-4-23(5-2)27(25,26)15-11-9-14(10-12-15)13(3)22-19(24)18-16(20)7-6-8-17(18)21/h6-13H,4-5H2,1-3H3,(H,22,24)
InChIKeyOFMYFILZYKPREU-UHFFFAOYSA-N
MW396.46 g/mol
LogP3.49
Rot. Bonds7

About N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2,6-difluorobenzamide

N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2,6-difluorobenzamide (PubChem CID 51151532) has the molecular formula C19H22F2N2O3S and a molecular weight of 396.46 g/mol. Its IUPAC name is N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2,6-difluorobenzamide
PubChem CID51151532
Molecular FormulaC19H22F2N2O3S
Molecular Weight396.46 g/mol
Exact Mass396.13
IUPAC NameN-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2,6-difluorobenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(C)NC(=O)c2c(F)cccc2F)cc1
InChIInChI=1S/C19H22F2N2O3S/c1-4-23(5-2)27(25,26)15-11-9-14(10-12-15)13(3)22-19(24)18-16(20)7-6-8-17(18)21/h6-13H,4-5H2,1-3H3,(H,22,24)
InChIKeyOFMYFILZYKPREU-UHFFFAOYSA-N
XLogP3.49
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.46
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-chloro-6-fluorophenyl)-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 112765432
1-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-[(1R)-1-(3,4-difluorophenyl)ethyl]urea
CID 52535105
2,3-dichloro-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]benzamide
CID 112765419
N-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-(trifluoromethyl)benzamide
CID 32752664
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-iodobenzamide
CID 55339070
(2R)-2-amino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]propanamide
CID 119269826
N-[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-5-methylthiophene-2-carboxamide
CID 31526246
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-methoxybenzamide
CID 51151516
N-[(1R)-1-(4-bromophenyl)ethyl]-2,6-difluorobenzamide
CID 26072462
N-[(1S)-1-(4-bromophenyl)ethyl]-2,6-difluorobenzamide
CID 26072463
(2R)-2-amino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]propanamide;hydrochloride
CID 119269825
1-[1-(2-chlorophenyl)ethyl]-3-[1-[4-(diethylsulfamoyl)phenyl]ethyl]urea
CID 55473706

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2,6-difluorobenzamide?
The IUPAC name of N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2,6-difluorobenzamide (CID 51151532) is N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2,6-difluorobenzamide?
The canonical SMILES for N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2,6-difluorobenzamide is CCN(CC)S(=O)(=O)c1ccc(C(C)NC(=O)c2c(F)cccc2F)cc1.
What is the InChIKey of N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2,6-difluorobenzamide?
The InChIKey is OFMYFILZYKPREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2O3S/c1-4-23(5-2)27(25,26)15-11-9-14(10-12-15)13(3)22-19(24)18-16(20)7-6-8-17(18)21/h6-13H,4-5H2,1-3H3,(H,22,24).
What are the key properties of N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2,6-difluorobenzamide?
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2,6-difluorobenzamide has a molecular weight of 396.46 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2,6-difluorobenzamide is sourced from PubChem (CID 51151532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).