N-(2,4-difluorophenyl)-N-ethyl-2,5-difluorobenzenesulfonamide

C14H11F4NO2S — CID 164614796

IUPACN-(2,4-difluorophenyl)-N-ethyl-2,5-difluorobenzenesulfonamide
SMILESCCN(c1ccc(F)cc1F)S(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C14H11F4NO2S/c1-2-19(13-6-4-9(15)7-12(13)18)22(20,21)14-8-10(16)3-5-11(14)17/h3-8H,2H2,1H3
InChIKeyRRHPOGKDBMFGSX-UHFFFAOYSA-N
MW333.31 g/mol
LogP3.46
Rot. Bonds4

About N-(2,4-difluorophenyl)-N-ethyl-2,5-difluorobenzenesulfonamide

N-(2,4-difluorophenyl)-N-ethyl-2,5-difluorobenzenesulfonamide (PubChem CID 164614796) has the molecular formula C14H11F4NO2S and a molecular weight of 333.31 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-N-ethyl-2,5-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-N-ethyl-2,5-difluorobenzenesulfonamide
PubChem CID164614796
Molecular FormulaC14H11F4NO2S
Molecular Weight333.31 g/mol
Exact Mass333.04
IUPAC NameN-(2,4-difluorophenyl)-N-ethyl-2,5-difluorobenzenesulfonamide
SMILESCCN(c1ccc(F)cc1F)S(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C14H11F4NO2S/c1-2-19(13-6-4-9(15)7-12(13)18)22(20,21)14-8-10(16)3-5-11(14)17/h3-8H,2H2,1H3
InChIKeyRRHPOGKDBMFGSX-UHFFFAOYSA-N
XLogP3.46
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.31
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-N-ethyl-2,5-difluorobenzenesulfonamide?
The IUPAC name of N-(2,4-difluorophenyl)-N-ethyl-2,5-difluorobenzenesulfonamide (CID 164614796) is N-(2,4-difluorophenyl)-N-ethyl-2,5-difluorobenzenesulfonamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-N-ethyl-2,5-difluorobenzenesulfonamide?
The canonical SMILES for N-(2,4-difluorophenyl)-N-ethyl-2,5-difluorobenzenesulfonamide is CCN(c1ccc(F)cc1F)S(=O)(=O)c1cc(F)ccc1F.
What is the InChIKey of N-(2,4-difluorophenyl)-N-ethyl-2,5-difluorobenzenesulfonamide?
The InChIKey is RRHPOGKDBMFGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F4NO2S/c1-2-19(13-6-4-9(15)7-12(13)18)22(20,21)14-8-10(16)3-5-11(14)17/h3-8H,2H2,1H3.
What are the key properties of N-(2,4-difluorophenyl)-N-ethyl-2,5-difluorobenzenesulfonamide?
N-(2,4-difluorophenyl)-N-ethyl-2,5-difluorobenzenesulfonamide has a molecular weight of 333.31 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-N-ethyl-2,5-difluorobenzenesulfonamide is sourced from PubChem (CID 164614796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).