(E)-N-(4-chlorophenyl)sulfonyl-3-(4-fluorophenyl)prop-2-enamide

C15H11ClFNO3S — CID 56657993

IUPAC(E)-N-(4-chlorophenyl)sulfonyl-3-(4-fluorophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(F)cc1)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H11ClFNO3S/c16-12-4-8-14(9-5-12)22(20,21)18-15(19)10-3-11-1-6-13(17)7-2-11/h1-10H,(H,18,19)/b10-3+
InChIKeyCJMAOHSVZRHUCA-XCVCLJGOSA-N
MW339.78 g/mol
LogP3.00
Rot. Bonds4

About (E)-N-(4-chlorophenyl)sulfonyl-3-(4-fluorophenyl)prop-2-enamide

(E)-N-(4-chlorophenyl)sulfonyl-3-(4-fluorophenyl)prop-2-enamide (PubChem CID 56657993) has the molecular formula C15H11ClFNO3S and a molecular weight of 339.78 g/mol. Its IUPAC name is (E)-N-(4-chlorophenyl)sulfonyl-3-(4-fluorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-chlorophenyl)sulfonyl-3-(4-fluorophenyl)prop-2-enamide
PubChem CID56657993
Molecular FormulaC15H11ClFNO3S
Molecular Weight339.78 g/mol
Exact Mass339.01
IUPAC Name(E)-N-(4-chlorophenyl)sulfonyl-3-(4-fluorophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(F)cc1)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H11ClFNO3S/c16-12-4-8-14(9-5-12)22(20,21)18-15(19)10-3-11-1-6-13(17)7-2-11/h1-10H,(H,18,19)/b10-3+
InChIKeyCJMAOHSVZRHUCA-XCVCLJGOSA-N
XLogP3.00
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.78
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-chlorophenyl)sulfonyl-3-(4-fluorophenyl)prop-2-enamide?
The IUPAC name of (E)-N-(4-chlorophenyl)sulfonyl-3-(4-fluorophenyl)prop-2-enamide (CID 56657993) is (E)-N-(4-chlorophenyl)sulfonyl-3-(4-fluorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(4-chlorophenyl)sulfonyl-3-(4-fluorophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(4-chlorophenyl)sulfonyl-3-(4-fluorophenyl)prop-2-enamide is O=C(/C=C/c1ccc(F)cc1)NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of (E)-N-(4-chlorophenyl)sulfonyl-3-(4-fluorophenyl)prop-2-enamide?
The InChIKey is CJMAOHSVZRHUCA-XCVCLJGOSA-N. The full InChI is InChI=1S/C15H11ClFNO3S/c16-12-4-8-14(9-5-12)22(20,21)18-15(19)10-3-11-1-6-13(17)7-2-11/h1-10H,(H,18,19)/b10-3+.
What are the key properties of (E)-N-(4-chlorophenyl)sulfonyl-3-(4-fluorophenyl)prop-2-enamide?
(E)-N-(4-chlorophenyl)sulfonyl-3-(4-fluorophenyl)prop-2-enamide has a molecular weight of 339.78 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-chlorophenyl)sulfonyl-3-(4-fluorophenyl)prop-2-enamide is sourced from PubChem (CID 56657993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).