(E)-N-[3-[(2-fluorophenyl)sulfamoyl]phenyl]-3-phenylprop-2-enamide

C21H17FN2O3S — CID 6111717

IUPAC(E)-N-[3-[(2-fluorophenyl)sulfamoyl]phenyl]-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)Nc1cccc(S(=O)(=O)Nc2ccccc2F)c1
InChIInChI=1S/C21H17FN2O3S/c22-19-11-4-5-12-20(19)24-28(26,27)18-10-6-9-17(15-18)23-21(25)14-13-16-7-2-1-3-8-16/h1-15,24H,(H,23,25)/b14-13+
InChIKeyJDSFJVPKTNHCTD-BUHFOSPRSA-N
MW396.44 g/mol
LogP4.28
Rot. Bonds6

About (E)-N-[3-[(2-fluorophenyl)sulfamoyl]phenyl]-3-phenylprop-2-enamide

(E)-N-[3-[(2-fluorophenyl)sulfamoyl]phenyl]-3-phenylprop-2-enamide (PubChem CID 6111717) has the molecular formula C21H17FN2O3S and a molecular weight of 396.44 g/mol. Its IUPAC name is (E)-N-[3-[(2-fluorophenyl)sulfamoyl]phenyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[3-[(2-fluorophenyl)sulfamoyl]phenyl]-3-phenylprop-2-enamide
PubChem CID6111717
Molecular FormulaC21H17FN2O3S
Molecular Weight396.44 g/mol
Exact Mass396.09
IUPAC Name(E)-N-[3-[(2-fluorophenyl)sulfamoyl]phenyl]-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)Nc1cccc(S(=O)(=O)Nc2ccccc2F)c1
InChIInChI=1S/C21H17FN2O3S/c22-19-11-4-5-12-20(19)24-28(26,27)18-10-6-9-17(15-18)23-21(25)14-13-16-7-2-1-3-8-16/h1-15,24H,(H,23,25)/b14-13+
InChIKeyJDSFJVPKTNHCTD-BUHFOSPRSA-N
XLogP4.28
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 54.28
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)-N-[3-[(2-fluorophenyl)sulfamoyl]phenyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[3-[(2-fluorophenyl)sulfamoyl]phenyl]-3-phenylprop-2-enamide (CID 6111717) is (E)-N-[3-[(2-fluorophenyl)sulfamoyl]phenyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[3-[(2-fluorophenyl)sulfamoyl]phenyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[3-[(2-fluorophenyl)sulfamoyl]phenyl]-3-phenylprop-2-enamide is O=C(/C=C/c1ccccc1)Nc1cccc(S(=O)(=O)Nc2ccccc2F)c1.
What is the InChIKey of (E)-N-[3-[(2-fluorophenyl)sulfamoyl]phenyl]-3-phenylprop-2-enamide?
The InChIKey is JDSFJVPKTNHCTD-BUHFOSPRSA-N. The full InChI is InChI=1S/C21H17FN2O3S/c22-19-11-4-5-12-20(19)24-28(26,27)18-10-6-9-17(15-18)23-21(25)14-13-16-7-2-1-3-8-16/h1-15,24H,(H,23,25)/b14-13+.
What are the key properties of (E)-N-[3-[(2-fluorophenyl)sulfamoyl]phenyl]-3-phenylprop-2-enamide?
(E)-N-[3-[(2-fluorophenyl)sulfamoyl]phenyl]-3-phenylprop-2-enamide has a molecular weight of 396.44 g/mol, XLogP of 4.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[3-[(2-fluorophenyl)sulfamoyl]phenyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 6111717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).