N-(2,3,4,5,6-pentafluorophenyl)ethanesulfonamide

C8H6F5NO2S — CID 3375683

IUPACN-(2,3,4,5,6-pentafluorophenyl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C8H6F5NO2S/c1-2-17(15,16)14-8-6(12)4(10)3(9)5(11)7(8)13/h14H,2H2,1H3
InChIKeyOFAVGUVCTOGBGW-UHFFFAOYSA-N
MW275.20 g/mol
LogP2.14
Rot. Bonds3

About N-(2,3,4,5,6-pentafluorophenyl)ethanesulfonamide

N-(2,3,4,5,6-pentafluorophenyl)ethanesulfonamide (PubChem CID 3375683) has the molecular formula C8H6F5NO2S and a molecular weight of 275.20 g/mol. Its IUPAC name is N-(2,3,4,5,6-pentafluorophenyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(2,3,4,5,6-pentafluorophenyl)ethanesulfonamide
PubChem CID3375683
Molecular FormulaC8H6F5NO2S
Molecular Weight275.20 g/mol
Exact Mass275.00
IUPAC NameN-(2,3,4,5,6-pentafluorophenyl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C8H6F5NO2S/c1-2-17(15,16)14-8-6(12)4(10)3(9)5(11)7(8)13/h14H,2H2,1H3
InChIKeyOFAVGUVCTOGBGW-UHFFFAOYSA-N
XLogP2.14
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.20
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,3,4,5,6-pentafluorophenyl)ethanesulfonamide?
The IUPAC name of N-(2,3,4,5,6-pentafluorophenyl)ethanesulfonamide (CID 3375683) is N-(2,3,4,5,6-pentafluorophenyl)ethanesulfonamide.
What is the SMILES notation for N-(2,3,4,5,6-pentafluorophenyl)ethanesulfonamide?
The canonical SMILES for N-(2,3,4,5,6-pentafluorophenyl)ethanesulfonamide is CCS(=O)(=O)Nc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of N-(2,3,4,5,6-pentafluorophenyl)ethanesulfonamide?
The InChIKey is OFAVGUVCTOGBGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F5NO2S/c1-2-17(15,16)14-8-6(12)4(10)3(9)5(11)7(8)13/h14H,2H2,1H3.
What are the key properties of N-(2,3,4,5,6-pentafluorophenyl)ethanesulfonamide?
N-(2,3,4,5,6-pentafluorophenyl)ethanesulfonamide has a molecular weight of 275.20 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,4,5,6-pentafluorophenyl)ethanesulfonamide is sourced from PubChem (CID 3375683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).