(Z)-2-(4-chlorophenyl)sulfonyl-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enenitrile

C19H11ClN2O5S — CID 2700209

IUPAC(Z)-2-(4-chlorophenyl)sulfonyl-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enenitrile
SMILESN#C/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H11ClN2O5S/c20-14-3-8-17(9-4-14)28(25,26)18(12-21)11-16-7-10-19(27-16)13-1-5-15(6-2-13)22(23)24/h1-11H/b18-11-
InChIKeyUNBNXACQMDOGOI-WQRHYEAKSA-N
MW414.83 g/mol
LogP4.85
Rot. Bonds5

About (Z)-2-(4-chlorophenyl)sulfonyl-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enenitrile

(Z)-2-(4-chlorophenyl)sulfonyl-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enenitrile (PubChem CID 2700209) has the molecular formula C19H11ClN2O5S and a molecular weight of 414.83 g/mol. Its IUPAC name is (Z)-2-(4-chlorophenyl)sulfonyl-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-2-(4-chlorophenyl)sulfonyl-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enenitrile
PubChem CID2700209
Molecular FormulaC19H11ClN2O5S
Molecular Weight414.83 g/mol
Exact Mass414.01
IUPAC Name(Z)-2-(4-chlorophenyl)sulfonyl-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enenitrile
SMILESN#C/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H11ClN2O5S/c20-14-3-8-17(9-4-14)28(25,26)18(12-21)11-16-7-10-19(27-16)13-1-5-15(6-2-13)22(23)24/h1-11H/b18-11-
InChIKeyUNBNXACQMDOGOI-WQRHYEAKSA-N
XLogP4.85
TPSA114.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.83
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(Z)-2-(4-methylphenyl)sulfonyl-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enenitrile
CID 2135445
ethyl 4-[5-[2-(4-chlorophenyl)sulfonyl-2-cyanoethenyl]furan-2-yl]benzoate
CID 3802181
2-(2,4-dichlorophenyl)-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enenitrile
CID 4710166
3-[5-(4-chlorophenyl)furan-2-yl]-2-(3-nitrophenyl)prop-2-enenitrile
CID 3392732
(E)-3-[5-(2-bromo-4-nitrophenyl)furan-2-yl]-2-(4-fluorophenyl)sulfonylprop-2-enenitrile
CID 2124251
3-[5-(2-bromo-4-nitrophenyl)furan-2-yl]-2-(4-fluorophenyl)sulfonylprop-2-enenitrile
CID 4557739
2-amino-4-[5-(4-nitrophenyl)furan-2-yl]buta-1,3-diene-1,1,3-tricarbonitrile
CID 4736035
(E)-3-[5-(4-chlorophenyl)furan-2-yl]-1-(4-nitrophenyl)prop-2-en-1-one
CID 5337275
2-(4-chlorophenyl)sulfonyl-3-(3-nitrophenyl)prop-2-enenitrile
CID 5070647
(E)-3-[5-(3,4-dichlorophenyl)furan-2-yl]-2-methylsulfonylprop-2-enenitrile
CID 8828437
(E)-2-(benzenesulfonyl)-3-[5-[(4-nitrophenoxy)methyl]furan-2-yl]prop-2-enenitrile
CID 2210134
4-[(Z)-1-cyano-2-[5-(4-nitrophenyl)furan-2-yl]ethenyl]benzonitrile
CID 967469

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(4-chlorophenyl)sulfonyl-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enenitrile?
The IUPAC name of (Z)-2-(4-chlorophenyl)sulfonyl-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enenitrile (CID 2700209) is (Z)-2-(4-chlorophenyl)sulfonyl-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enenitrile.
What is the SMILES notation for (Z)-2-(4-chlorophenyl)sulfonyl-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enenitrile?
The canonical SMILES for (Z)-2-(4-chlorophenyl)sulfonyl-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enenitrile is N#C/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of (Z)-2-(4-chlorophenyl)sulfonyl-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enenitrile?
The InChIKey is UNBNXACQMDOGOI-WQRHYEAKSA-N. The full InChI is InChI=1S/C19H11ClN2O5S/c20-14-3-8-17(9-4-14)28(25,26)18(12-21)11-16-7-10-19(27-16)13-1-5-15(6-2-13)22(23)24/h1-11H/b18-11-.
What are the key properties of (Z)-2-(4-chlorophenyl)sulfonyl-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enenitrile?
(Z)-2-(4-chlorophenyl)sulfonyl-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enenitrile has a molecular weight of 414.83 g/mol, XLogP of 4.85, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(4-chlorophenyl)sulfonyl-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enenitrile is sourced from PubChem (CID 2700209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).