N-(3,4-difluorophenyl)-4-(2-fluoro-N-methylsulfonylanilino)butanamide

C17H17F3N2O3S — CID 53287732

IUPACN-(3,4-difluorophenyl)-4-(2-fluoro-N-methylsulfonylanilino)butanamide
SMILESCS(=O)(=O)N(CCCC(=O)Nc1ccc(F)c(F)c1)c1ccccc1F
InChIInChI=1S/C17H17F3N2O3S/c1-26(24,25)22(16-6-3-2-5-14(16)19)10-4-7-17(23)21-12-8-9-13(18)15(20)11-12/h2-3,5-6,8-9,11H,4,7,10H2,1H3,(H,21,23)
InChIKeyQNENQSGDJNPHAA-UHFFFAOYSA-N
MW386.40 g/mol
LogP3.29
Rot. Bonds7

About N-(3,4-difluorophenyl)-4-(2-fluoro-N-methylsulfonylanilino)butanamide

N-(3,4-difluorophenyl)-4-(2-fluoro-N-methylsulfonylanilino)butanamide (PubChem CID 53287732) has the molecular formula C17H17F3N2O3S and a molecular weight of 386.40 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-4-(2-fluoro-N-methylsulfonylanilino)butanamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-4-(2-fluoro-N-methylsulfonylanilino)butanamide
PubChem CID53287732
Molecular FormulaC17H17F3N2O3S
Molecular Weight386.40 g/mol
Exact Mass386.09
IUPAC NameN-(3,4-difluorophenyl)-4-(2-fluoro-N-methylsulfonylanilino)butanamide
SMILESCS(=O)(=O)N(CCCC(=O)Nc1ccc(F)c(F)c1)c1ccccc1F
InChIInChI=1S/C17H17F3N2O3S/c1-26(24,25)22(16-6-3-2-5-14(16)19)10-4-7-17(23)21-12-8-9-13(18)15(20)11-12/h2-3,5-6,8-9,11H,4,7,10H2,1H3,(H,21,23)
InChIKeyQNENQSGDJNPHAA-UHFFFAOYSA-N
XLogP3.29
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-difluorophenyl)-4-(2-methoxy-N-methylsulfonylanilino)butanamide
CID 53288261
N-(3,4-difluorophenyl)-4-(2,5-dimethyl-N-methylsulfonylanilino)butanamide
CID 21367184
3-(2-fluoro-N-methylsulfonylanilino)-N-(4-fluorophenyl)propanamide
CID 113143477
N-(4-ethoxyphenyl)-4-(2-fluoro-N-methylsulfonylanilino)butanamide
CID 53287763
N-(3-ethoxyphenyl)-4-(2-fluoro-N-methylsulfonylanilino)butanamide
CID 53287797
4-(3,4-difluoro-N-methylsulfonylanilino)-N-phenylbutanamide
CID 53287713
N-(2,5-dimethylphenyl)-4-(2-fluoro-N-methylsulfonylanilino)butanamide
CID 53287630
N-(3-acetylphenyl)-3-(2-fluoro-N-methylsulfonylanilino)propanamide
CID 113143498
N-(4-bromo-3-chlorophenyl)-4-(3,4-difluoro-N-methylsulfonylanilino)butanamide
CID 100544170
N-(3,4-difluorophenyl)-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide
CID 113143195
4-(4-chloro-N-methylsulfonylanilino)-N-(3-fluorophenyl)butanamide
CID 53285560
4-(2-fluoro-N-methylsulfonylanilino)-N-[(1S)-1-phenylpropyl]butanamide
CID 99132564

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-4-(2-fluoro-N-methylsulfonylanilino)butanamide?
The IUPAC name of N-(3,4-difluorophenyl)-4-(2-fluoro-N-methylsulfonylanilino)butanamide (CID 53287732) is N-(3,4-difluorophenyl)-4-(2-fluoro-N-methylsulfonylanilino)butanamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-4-(2-fluoro-N-methylsulfonylanilino)butanamide?
The canonical SMILES for N-(3,4-difluorophenyl)-4-(2-fluoro-N-methylsulfonylanilino)butanamide is CS(=O)(=O)N(CCCC(=O)Nc1ccc(F)c(F)c1)c1ccccc1F.
What is the InChIKey of N-(3,4-difluorophenyl)-4-(2-fluoro-N-methylsulfonylanilino)butanamide?
The InChIKey is QNENQSGDJNPHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O3S/c1-26(24,25)22(16-6-3-2-5-14(16)19)10-4-7-17(23)21-12-8-9-13(18)15(20)11-12/h2-3,5-6,8-9,11H,4,7,10H2,1H3,(H,21,23).
What are the key properties of N-(3,4-difluorophenyl)-4-(2-fluoro-N-methylsulfonylanilino)butanamide?
N-(3,4-difluorophenyl)-4-(2-fluoro-N-methylsulfonylanilino)butanamide has a molecular weight of 386.40 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-4-(2-fluoro-N-methylsulfonylanilino)butanamide is sourced from PubChem (CID 53287732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).