3-[5-(2,3-dichlorophenyl)furan-2-yl]-2-(4-fluorophenyl)sulfonylprop-2-enenitrile

C19H10Cl2FNO3S — CID 3989383

IUPAC3-[5-(2,3-dichlorophenyl)furan-2-yl]-2-(4-fluorophenyl)sulfonylprop-2-enenitrile
SMILESN#CC(=Cc1ccc(-c2cccc(Cl)c2Cl)o1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C19H10Cl2FNO3S/c20-17-3-1-2-16(19(17)21)18-9-6-13(26-18)10-15(11-23)27(24,25)14-7-4-12(22)5-8-14/h1-10H
InChIKeyFDHPYYDUNZJKDJ-UHFFFAOYSA-N
MW422.26 g/mol
LogP5.73
Rot. Bonds4

About 3-[5-(2,3-dichlorophenyl)furan-2-yl]-2-(4-fluorophenyl)sulfonylprop-2-enenitrile

3-[5-(2,3-dichlorophenyl)furan-2-yl]-2-(4-fluorophenyl)sulfonylprop-2-enenitrile (PubChem CID 3989383) has the molecular formula C19H10Cl2FNO3S and a molecular weight of 422.26 g/mol. Its IUPAC name is 3-[5-(2,3-dichlorophenyl)furan-2-yl]-2-(4-fluorophenyl)sulfonylprop-2-enenitrile.

Molecular Properties

Compound Name3-[5-(2,3-dichlorophenyl)furan-2-yl]-2-(4-fluorophenyl)sulfonylprop-2-enenitrile
PubChem CID3989383
Molecular FormulaC19H10Cl2FNO3S
Molecular Weight422.26 g/mol
Exact Mass420.97
IUPAC Name3-[5-(2,3-dichlorophenyl)furan-2-yl]-2-(4-fluorophenyl)sulfonylprop-2-enenitrile
SMILESN#CC(=Cc1ccc(-c2cccc(Cl)c2Cl)o1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C19H10Cl2FNO3S/c20-17-3-1-2-16(19(17)21)18-9-6-13(26-18)10-15(11-23)27(24,25)14-7-4-12(22)5-8-14/h1-10H
InChIKeyFDHPYYDUNZJKDJ-UHFFFAOYSA-N
XLogP5.73
TPSA71.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.26
LogP ≤ 55.73
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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Related Compounds

3-[5-(2-bromo-4-nitrophenyl)furan-2-yl]-2-(4-fluorophenyl)sulfonylprop-2-enenitrile
CID 4557739
(E)-3-[5-(2-bromo-4-nitrophenyl)furan-2-yl]-2-(4-fluorophenyl)sulfonylprop-2-enenitrile
CID 2124251
3-[5-(2,3-dichlorophenyl)furan-2-yl]-1-(4-fluorophenyl)prop-2-en-1-one
CID 3124816
(Z)-3-[5-(2,3-dichlorophenyl)furan-2-yl]-2-phenylprop-2-enenitrile
CID 726351
(E)-2-cyano-3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-(3-fluorophenyl)prop-2-enamide
CID 18863481
3-[3-[2-cyano-2-(4-fluorophenyl)sulfonylethenyl]phenyl]-2-(4-fluorophenyl)sulfonylprop-2-enenitrile
CID 5094022
(Z)-2-(4-chlorophenyl)sulfonyl-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enenitrile
CID 2700209
3-(2-chloro-6-fluorophenyl)-2-(4-methylphenyl)sulfonylprop-2-enenitrile
CID 734953
2-(1H-benzimidazol-2-yl)-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enenitrile
CID 2850991
(E)-2-cyano-3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-prop-2-enylprop-2-enamide
CID 2713727
(E)-2-cyano-N-cyclopentyl-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide
CID 126197604
(Z)-2-(4-methylphenyl)sulfonyl-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enenitrile
CID 2135445

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,3-dichlorophenyl)furan-2-yl]-2-(4-fluorophenyl)sulfonylprop-2-enenitrile?
The IUPAC name of 3-[5-(2,3-dichlorophenyl)furan-2-yl]-2-(4-fluorophenyl)sulfonylprop-2-enenitrile (CID 3989383) is 3-[5-(2,3-dichlorophenyl)furan-2-yl]-2-(4-fluorophenyl)sulfonylprop-2-enenitrile.
What is the SMILES notation for 3-[5-(2,3-dichlorophenyl)furan-2-yl]-2-(4-fluorophenyl)sulfonylprop-2-enenitrile?
The canonical SMILES for 3-[5-(2,3-dichlorophenyl)furan-2-yl]-2-(4-fluorophenyl)sulfonylprop-2-enenitrile is N#CC(=Cc1ccc(-c2cccc(Cl)c2Cl)o1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 3-[5-(2,3-dichlorophenyl)furan-2-yl]-2-(4-fluorophenyl)sulfonylprop-2-enenitrile?
The InChIKey is FDHPYYDUNZJKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10Cl2FNO3S/c20-17-3-1-2-16(19(17)21)18-9-6-13(26-18)10-15(11-23)27(24,25)14-7-4-12(22)5-8-14/h1-10H.
What are the key properties of 3-[5-(2,3-dichlorophenyl)furan-2-yl]-2-(4-fluorophenyl)sulfonylprop-2-enenitrile?
3-[5-(2,3-dichlorophenyl)furan-2-yl]-2-(4-fluorophenyl)sulfonylprop-2-enenitrile has a molecular weight of 422.26 g/mol, XLogP of 5.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,3-dichlorophenyl)furan-2-yl]-2-(4-fluorophenyl)sulfonylprop-2-enenitrile is sourced from PubChem (CID 3989383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).