(Z)-2-(4-fluorophenyl)sulfonyl-3-thiophen-3-ylprop-2-enenitrile

C13H8FNO2S2 — CID 2479212

IUPAC(Z)-2-(4-fluorophenyl)sulfonyl-3-thiophen-3-ylprop-2-enenitrile
SMILESN#C/C(=C/c1ccsc1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C13H8FNO2S2/c14-11-1-3-12(4-2-11)19(16,17)13(8-15)7-10-5-6-18-9-10/h1-7,9H/b13-7-
InChIKeyQBCKYDSSVQGAMT-QPEQYQDCSA-N
MW293.34 g/mol
LogP3.23
Rot. Bonds3

About (Z)-2-(4-fluorophenyl)sulfonyl-3-thiophen-3-ylprop-2-enenitrile

(Z)-2-(4-fluorophenyl)sulfonyl-3-thiophen-3-ylprop-2-enenitrile (PubChem CID 2479212) has the molecular formula C13H8FNO2S2 and a molecular weight of 293.34 g/mol. Its IUPAC name is (Z)-2-(4-fluorophenyl)sulfonyl-3-thiophen-3-ylprop-2-enenitrile.

Molecular Properties

Compound Name(Z)-2-(4-fluorophenyl)sulfonyl-3-thiophen-3-ylprop-2-enenitrile
PubChem CID2479212
Molecular FormulaC13H8FNO2S2
Molecular Weight293.34 g/mol
Exact Mass293.00
IUPAC Name(Z)-2-(4-fluorophenyl)sulfonyl-3-thiophen-3-ylprop-2-enenitrile
SMILESN#C/C(=C/c1ccsc1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C13H8FNO2S2/c14-11-1-3-12(4-2-11)19(16,17)13(8-15)7-10-5-6-18-9-10/h1-7,9H/b13-7-
InChIKeyQBCKYDSSVQGAMT-QPEQYQDCSA-N
XLogP3.23
TPSA57.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-(4-fluorophenyl)sulfonyl-3-thiophen-3-ylprop-2-enenitrile?
The IUPAC name of (Z)-2-(4-fluorophenyl)sulfonyl-3-thiophen-3-ylprop-2-enenitrile (CID 2479212) is (Z)-2-(4-fluorophenyl)sulfonyl-3-thiophen-3-ylprop-2-enenitrile.
What is the SMILES notation for (Z)-2-(4-fluorophenyl)sulfonyl-3-thiophen-3-ylprop-2-enenitrile?
The canonical SMILES for (Z)-2-(4-fluorophenyl)sulfonyl-3-thiophen-3-ylprop-2-enenitrile is N#C/C(=C/c1ccsc1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of (Z)-2-(4-fluorophenyl)sulfonyl-3-thiophen-3-ylprop-2-enenitrile?
The InChIKey is QBCKYDSSVQGAMT-QPEQYQDCSA-N. The full InChI is InChI=1S/C13H8FNO2S2/c14-11-1-3-12(4-2-11)19(16,17)13(8-15)7-10-5-6-18-9-10/h1-7,9H/b13-7-.
What are the key properties of (Z)-2-(4-fluorophenyl)sulfonyl-3-thiophen-3-ylprop-2-enenitrile?
(Z)-2-(4-fluorophenyl)sulfonyl-3-thiophen-3-ylprop-2-enenitrile has a molecular weight of 293.34 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(4-fluorophenyl)sulfonyl-3-thiophen-3-ylprop-2-enenitrile is sourced from PubChem (CID 2479212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).