2,4-difluoro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzenesulfonamide

C15H14F3NO3S — CID 18097044

IUPAC2,4-difluoro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzenesulfonamide
SMILESCOc1ccc(C(C)NS(=O)(=O)c2ccc(F)cc2F)cc1F
InChIInChI=1S/C15H14F3NO3S/c1-9(10-3-5-14(22-2)12(17)7-10)19-23(20,21)15-6-4-11(16)8-13(15)18/h3-9,19H,1-2H3
InChIKeyVKXDJVWEGPTHNN-UHFFFAOYSA-N
MW345.34 g/mol
LogP3.15
Rot. Bonds5

About 2,4-difluoro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzenesulfonamide

2,4-difluoro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzenesulfonamide (PubChem CID 18097044) has the molecular formula C15H14F3NO3S and a molecular weight of 345.34 g/mol. Its IUPAC name is 2,4-difluoro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-difluoro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzenesulfonamide
PubChem CID18097044
Molecular FormulaC15H14F3NO3S
Molecular Weight345.34 g/mol
Exact Mass345.06
IUPAC Name2,4-difluoro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzenesulfonamide
SMILESCOc1ccc(C(C)NS(=O)(=O)c2ccc(F)cc2F)cc1F
InChIInChI=1S/C15H14F3NO3S/c1-9(10-3-5-14(22-2)12(17)7-10)19-23(20,21)15-6-4-11(16)8-13(15)18/h3-9,19H,1-2H3
InChIKeyVKXDJVWEGPTHNN-UHFFFAOYSA-N
XLogP3.15
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.34
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-fluoro-4-methoxyphenyl)ethyl]methanesulfonamide
CID 47013228
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-propan-2-ylbenzenesulfonamide
CID 18097055
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-5-fluoro-2-methoxybenzenesulfonamide
CID 28560633
N-[1-(4-tert-butylphenyl)ethyl]-2,4-difluorobenzenesulfonamide
CID 22772322
2-bromo-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide
CID 46567252
N-[1-(4-chlorophenyl)ethyl]-2,4-difluorobenzenesulfonamide
CID 3816054
4-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzene-1,4-disulfonamide
CID 46633618
3,5-dichloro-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]benzenesulfonamide
CID 26012217
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-fluoro-4-methoxybenzenesulfonamide
CID 46778206
N-[1-(3,4-difluorophenyl)ethyl]-2-methoxybenzenesulfonamide
CID 51169674
N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 38255503
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]ethanesulfonamide
CID 47371507

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 2,4-difluoro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzenesulfonamide (CID 18097044) is 2,4-difluoro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2,4-difluoro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 2,4-difluoro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzenesulfonamide is COc1ccc(C(C)NS(=O)(=O)c2ccc(F)cc2F)cc1F.
What is the InChIKey of 2,4-difluoro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzenesulfonamide?
The InChIKey is VKXDJVWEGPTHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO3S/c1-9(10-3-5-14(22-2)12(17)7-10)19-23(20,21)15-6-4-11(16)8-13(15)18/h3-9,19H,1-2H3.
What are the key properties of 2,4-difluoro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzenesulfonamide?
2,4-difluoro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzenesulfonamide has a molecular weight of 345.34 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 18097044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).