(Z)-2-(4-fluorophenyl)sulfonyl-3-phenylprop-2-enamide

C15H12FNO3S — CID 10638277

IUPAC(Z)-2-(4-fluorophenyl)sulfonyl-3-phenylprop-2-enamide
SMILESNC(=O)/C(=C/c1ccccc1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C15H12FNO3S/c16-12-6-8-13(9-7-12)21(19,20)14(15(17)18)10-11-4-2-1-3-5-11/h1-10H,(H2,17,18)/b14-10-
InChIKeyLASSOOJPUCYZNG-UVTDQMKNSA-N
MW305.33 g/mol
LogP2.13
Rot. Bonds4

About (Z)-2-(4-fluorophenyl)sulfonyl-3-phenylprop-2-enamide

(Z)-2-(4-fluorophenyl)sulfonyl-3-phenylprop-2-enamide (PubChem CID 10638277) has the molecular formula C15H12FNO3S and a molecular weight of 305.33 g/mol. Its IUPAC name is (Z)-2-(4-fluorophenyl)sulfonyl-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(Z)-2-(4-fluorophenyl)sulfonyl-3-phenylprop-2-enamide
PubChem CID10638277
Molecular FormulaC15H12FNO3S
Molecular Weight305.33 g/mol
Exact Mass305.05
IUPAC Name(Z)-2-(4-fluorophenyl)sulfonyl-3-phenylprop-2-enamide
SMILESNC(=O)/C(=C/c1ccccc1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C15H12FNO3S/c16-12-6-8-13(9-7-12)21(19,20)14(15(17)18)10-11-4-2-1-3-5-11/h1-10H,(H2,17,18)/b14-10-
InChIKeyLASSOOJPUCYZNG-UVTDQMKNSA-N
XLogP2.13
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 52.13
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 (Z)-2-(4-fluorophenyl)sulfonyl-3-phenylprop-2-enamide?
The IUPAC name of (Z)-2-(4-fluorophenyl)sulfonyl-3-phenylprop-2-enamide (CID 10638277) is (Z)-2-(4-fluorophenyl)sulfonyl-3-phenylprop-2-enamide.
What is the SMILES notation for (Z)-2-(4-fluorophenyl)sulfonyl-3-phenylprop-2-enamide?
The canonical SMILES for (Z)-2-(4-fluorophenyl)sulfonyl-3-phenylprop-2-enamide is NC(=O)/C(=C/c1ccccc1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of (Z)-2-(4-fluorophenyl)sulfonyl-3-phenylprop-2-enamide?
The InChIKey is LASSOOJPUCYZNG-UVTDQMKNSA-N. The full InChI is InChI=1S/C15H12FNO3S/c16-12-6-8-13(9-7-12)21(19,20)14(15(17)18)10-11-4-2-1-3-5-11/h1-10H,(H2,17,18)/b14-10-.
What are the key properties of (Z)-2-(4-fluorophenyl)sulfonyl-3-phenylprop-2-enamide?
(Z)-2-(4-fluorophenyl)sulfonyl-3-phenylprop-2-enamide has a molecular weight of 305.33 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(4-fluorophenyl)sulfonyl-3-phenylprop-2-enamide is sourced from PubChem (CID 10638277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).