(E)-2-(4-cyanophenyl)ethenesulfonyl fluoride

C9H6FNO2S — CID 154716018

IUPAC(E)-2-(4-cyanophenyl)ethenesulfonyl fluoride
SMILESN#Cc1ccc(/C=C/S(=O)(=O)F)cc1
InChIInChI=1S/C9H6FNO2S/c10-14(12,13)6-5-8-1-3-9(7-11)4-2-8/h1-6H/b6-5+
InChIKeyNZIBEYMWGHUSCT-AATRIKPKSA-N
MW211.22 g/mol
LogP1.83
Rot. Bonds2

About (E)-2-(4-cyanophenyl)ethenesulfonyl fluoride

(E)-2-(4-cyanophenyl)ethenesulfonyl fluoride (PubChem CID 154716018) has the molecular formula C9H6FNO2S and a molecular weight of 211.22 g/mol. Its IUPAC name is (E)-2-(4-cyanophenyl)ethenesulfonyl fluoride.

Molecular Properties

Compound Name(E)-2-(4-cyanophenyl)ethenesulfonyl fluoride
PubChem CID154716018
Molecular FormulaC9H6FNO2S
Molecular Weight211.22 g/mol
Exact Mass211.01
IUPAC Name(E)-2-(4-cyanophenyl)ethenesulfonyl fluoride
SMILESN#Cc1ccc(/C=C/S(=O)(=O)F)cc1
InChIInChI=1S/C9H6FNO2S/c10-14(12,13)6-5-8-1-3-9(7-11)4-2-8/h1-6H/b6-5+
InChIKeyNZIBEYMWGHUSCT-AATRIKPKSA-N
XLogP1.83
TPSA57.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-Methylphenyl)ethene-1-sulfonyl fluoride
CID 121553281
Ethenesulfonyl fluoride, 2-phenyl-
CID 5357730
4-(Sulfanylmethyl)benzonitrile
CID 10855633
(4-Cyanophenyl)methanesulfonyl chloride
CID 15480555
2-Cyanobenzenesulfonyl fluoride
CID 19915317
4-Cyanobenzene-1-sulfonyl fluoride
CID 85785717
(4-Cyanophenyl)methanesulfonamide
CID 7131562
(Z)-2-phenylethenesulfonyl fluoride
CID 5382416
(2-Cyanophenyl)methanesulfonyl chloride
CID 14275690
(3-Cyanophenyl)methanesulfonyl chloride
CID 16774314
1-(4-Cyanophenyl)ethanesulfonamide
CID 17842976
2-(2-Cyanophenyl)ethane-1-sulfonyl chloride
CID 21694350

Frequently Asked Questions

What is the IUPAC name of (E)-2-(4-cyanophenyl)ethenesulfonyl fluoride?
The IUPAC name of (E)-2-(4-cyanophenyl)ethenesulfonyl fluoride (CID 154716018) is (E)-2-(4-cyanophenyl)ethenesulfonyl fluoride.
What is the SMILES notation for (E)-2-(4-cyanophenyl)ethenesulfonyl fluoride?
The canonical SMILES for (E)-2-(4-cyanophenyl)ethenesulfonyl fluoride is N#Cc1ccc(/C=C/S(=O)(=O)F)cc1.
What is the InChIKey of (E)-2-(4-cyanophenyl)ethenesulfonyl fluoride?
The InChIKey is NZIBEYMWGHUSCT-AATRIKPKSA-N. The full InChI is InChI=1S/C9H6FNO2S/c10-14(12,13)6-5-8-1-3-9(7-11)4-2-8/h1-6H/b6-5+.
What are the key properties of (E)-2-(4-cyanophenyl)ethenesulfonyl fluoride?
(E)-2-(4-cyanophenyl)ethenesulfonyl fluoride has a molecular weight of 211.22 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(4-cyanophenyl)ethenesulfonyl fluoride is sourced from PubChem (CID 154716018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).