(E)-2-(3,4-difluorophenyl)ethenesulfonamide

C8H7F2NO2S — CID 43532206

IUPAC(E)-2-(3,4-difluorophenyl)ethenesulfonamide
SMILESNS(=O)(=O)/C=C/c1ccc(F)c(F)c1
InChIInChI=1S/C8H7F2NO2S/c9-7-2-1-6(5-8(7)10)3-4-14(11,12)13/h1-5H,(H2,11,12,13)/b4-3+
InChIKeyNDZXRWBCYCIWGT-ONEGZZNKSA-N
MW219.21 g/mol
LogP1.22
Rot. Bonds2

About (E)-2-(3,4-difluorophenyl)ethenesulfonamide

(E)-2-(3,4-difluorophenyl)ethenesulfonamide (PubChem CID 43532206) has the molecular formula C8H7F2NO2S and a molecular weight of 219.21 g/mol. Its IUPAC name is (E)-2-(3,4-difluorophenyl)ethenesulfonamide.

Molecular Properties

Compound Name(E)-2-(3,4-difluorophenyl)ethenesulfonamide
PubChem CID43532206
Molecular FormulaC8H7F2NO2S
Molecular Weight219.21 g/mol
Exact Mass219.02
IUPAC Name(E)-2-(3,4-difluorophenyl)ethenesulfonamide
SMILESNS(=O)(=O)/C=C/c1ccc(F)c(F)c1
InChIInChI=1S/C8H7F2NO2S/c9-7-2-1-6(5-8(7)10)3-4-14(11,12)13/h1-5H,(H2,11,12,13)/b4-3+
InChIKeyNDZXRWBCYCIWGT-ONEGZZNKSA-N
XLogP1.22
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-2-(4-fluorophenyl)ethenesulfonamide
CID 22750880
(E)-2-(4-methylsulfonylphenyl)ethenesulfonamide
CID 43532219
1,2-difluoro-4-(2-nitroethenyl)benzene
CID 66801984
(E)-2-(4-propan-2-ylphenyl)ethenesulfonamide
CID 22750924
2-[(E)-2-(3,4-difluorophenyl)ethenyl]phenol
CID 11287698
4-(3-bromoprop-1-enyl)-1,2-difluorobenzene
CID 4997890
2-[3-[[3-amino-2-(4-fluorophenyl)-3H-pyrazol-4-ylidene]methyl]phenyl]ethenesulfonamide
CID 151259506
(E)-2-[4-(methanesulfonamido)phenyl]ethenesulfonamide
CID 58755395
3,4-difluorobenzaldehyde;(E)-3-(3,4-difluorophenyl)prop-2-enoic acid
CID 163846327
2-fluoro-5-formylbenzenesulfonamide
CID 112756760
2-cyclohexyl-5-[2-(3,4-difluorophenyl)ethenyl]benzene-1,3-diol
CID 170351252
propyl (E)-3-(3,4-difluorophenyl)prop-2-enoate
CID 141353403

Frequently Asked Questions

What is the IUPAC name of (E)-2-(3,4-difluorophenyl)ethenesulfonamide?
The IUPAC name of (E)-2-(3,4-difluorophenyl)ethenesulfonamide (CID 43532206) is (E)-2-(3,4-difluorophenyl)ethenesulfonamide.
What is the SMILES notation for (E)-2-(3,4-difluorophenyl)ethenesulfonamide?
The canonical SMILES for (E)-2-(3,4-difluorophenyl)ethenesulfonamide is NS(=O)(=O)/C=C/c1ccc(F)c(F)c1.
What is the InChIKey of (E)-2-(3,4-difluorophenyl)ethenesulfonamide?
The InChIKey is NDZXRWBCYCIWGT-ONEGZZNKSA-N. The full InChI is InChI=1S/C8H7F2NO2S/c9-7-2-1-6(5-8(7)10)3-4-14(11,12)13/h1-5H,(H2,11,12,13)/b4-3+.
What are the key properties of (E)-2-(3,4-difluorophenyl)ethenesulfonamide?
(E)-2-(3,4-difluorophenyl)ethenesulfonamide has a molecular weight of 219.21 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(3,4-difluorophenyl)ethenesulfonamide is sourced from PubChem (CID 43532206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).