(E)-2-fluoro-N-methyl-3-[3-(phenylsulfamoyl)phenyl]prop-2-enamide

C16H15FN2O3S — CID 71261413

IUPAC(E)-2-fluoro-N-methyl-3-[3-(phenylsulfamoyl)phenyl]prop-2-enamide
SMILESCNC(=O)/C(F)=C\c1cccc(S(=O)(=O)Nc2ccccc2)c1
InChIInChI=1S/C16H15FN2O3S/c1-18-16(20)15(17)11-12-6-5-9-14(10-12)23(21,22)19-13-7-3-2-4-8-13/h2-11,19H,1H3,(H,18,20)/b15-11+
InChIKeyMNKFMVHTGANKTM-RVDMUPIBSA-N
MW334.37 g/mol
LogP2.54
Rot. Bonds5

About (E)-2-fluoro-N-methyl-3-[3-(phenylsulfamoyl)phenyl]prop-2-enamide

(E)-2-fluoro-N-methyl-3-[3-(phenylsulfamoyl)phenyl]prop-2-enamide (PubChem CID 71261413) has the molecular formula C16H15FN2O3S and a molecular weight of 334.37 g/mol. Its IUPAC name is (E)-2-fluoro-N-methyl-3-[3-(phenylsulfamoyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-2-fluoro-N-methyl-3-[3-(phenylsulfamoyl)phenyl]prop-2-enamide
PubChem CID71261413
Molecular FormulaC16H15FN2O3S
Molecular Weight334.37 g/mol
Exact Mass334.08
IUPAC Name(E)-2-fluoro-N-methyl-3-[3-(phenylsulfamoyl)phenyl]prop-2-enamide
SMILESCNC(=O)/C(F)=C\c1cccc(S(=O)(=O)Nc2ccccc2)c1
InChIInChI=1S/C16H15FN2O3S/c1-18-16(20)15(17)11-12-6-5-9-14(10-12)23(21,22)19-13-7-3-2-4-8-13/h2-11,19H,1H3,(H,18,20)/b15-11+
InChIKeyMNKFMVHTGANKTM-RVDMUPIBSA-N
XLogP2.54
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 52.54
H-Bond Donors ≤ 52
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)-2-fluoro-N-methyl-3-[3-(phenylsulfamoyl)phenyl]prop-2-enamide?
The IUPAC name of (E)-2-fluoro-N-methyl-3-[3-(phenylsulfamoyl)phenyl]prop-2-enamide (CID 71261413) is (E)-2-fluoro-N-methyl-3-[3-(phenylsulfamoyl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-2-fluoro-N-methyl-3-[3-(phenylsulfamoyl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-2-fluoro-N-methyl-3-[3-(phenylsulfamoyl)phenyl]prop-2-enamide is CNC(=O)/C(F)=C\c1cccc(S(=O)(=O)Nc2ccccc2)c1.
What is the InChIKey of (E)-2-fluoro-N-methyl-3-[3-(phenylsulfamoyl)phenyl]prop-2-enamide?
The InChIKey is MNKFMVHTGANKTM-RVDMUPIBSA-N. The full InChI is InChI=1S/C16H15FN2O3S/c1-18-16(20)15(17)11-12-6-5-9-14(10-12)23(21,22)19-13-7-3-2-4-8-13/h2-11,19H,1H3,(H,18,20)/b15-11+.
What are the key properties of (E)-2-fluoro-N-methyl-3-[3-(phenylsulfamoyl)phenyl]prop-2-enamide?
(E)-2-fluoro-N-methyl-3-[3-(phenylsulfamoyl)phenyl]prop-2-enamide has a molecular weight of 334.37 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-fluoro-N-methyl-3-[3-(phenylsulfamoyl)phenyl]prop-2-enamide is sourced from PubChem (CID 71261413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).