3-(2-fluorophenyl)-N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide

C22H19FN2O4S — CID 71904147

IUPAC3-(2-fluorophenyl)-N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
SMILESCOc1ccccc1NS(=O)(=O)c1cccc(NC(=O)C=Cc2ccccc2F)c1
InChIInChI=1S/C22H19FN2O4S/c1-29-21-12-5-4-11-20(21)25-30(27,28)18-9-6-8-17(15-18)24-22(26)14-13-16-7-2-3-10-19(16)23/h2-15,25H,1H3,(H,24,26)
InChIKeySIXIBLCTHQMPNN-UHFFFAOYSA-N
MW426.47 g/mol
LogP4.29
Rot. Bonds7

About 3-(2-fluorophenyl)-N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide

3-(2-fluorophenyl)-N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide (PubChem CID 71904147) has the molecular formula C22H19FN2O4S and a molecular weight of 426.47 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
PubChem CID71904147
Molecular FormulaC22H19FN2O4S
Molecular Weight426.47 g/mol
Exact Mass426.10
IUPAC Name3-(2-fluorophenyl)-N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
SMILESCOc1ccccc1NS(=O)(=O)c1cccc(NC(=O)C=Cc2ccccc2F)c1
InChIInChI=1S/C22H19FN2O4S/c1-29-21-12-5-4-11-20(21)25-30(27,28)18-9-6-8-17(15-18)24-22(26)14-13-16-7-2-3-10-19(16)23/h2-15,25H,1H3,(H,24,26)
InChIKeySIXIBLCTHQMPNN-UHFFFAOYSA-N
XLogP4.29
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]benzoate
CID 26240448
(E)-N-(2,5-dimethoxyphenyl)-3-(2-fluorophenyl)prop-2-enamide
CID 9098501
N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]cyclopentanecarboxamide
CID 9414168
(E)-3-(2,4-dimethylphenyl)-N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 24635981
(E)-N-(3-bromophenyl)-3-(2-fluorophenyl)prop-2-enamide
CID 8713833
(E)-3-(2-fluorophenyl)-N-(3-fluorophenyl)prop-2-enamide
CID 8761062
(E)-3-(2,3-dimethoxyphenyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide
CID 8001993
N-(2-methoxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 26538254
(E)-N-(4-fluoro-2-methylphenyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 26886402
(E)-N-(5-fluoro-2-methylphenyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 26696619
(E)-N-[3-(benzenesulfonamido)-4-methylphenyl]-3-(3-fluoro-4-methoxyphenyl)prop-2-enamide
CID 55705863
2-methoxy-N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide
CID 39977662

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide?
The IUPAC name of 3-(2-fluorophenyl)-N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide (CID 71904147) is 3-(2-fluorophenyl)-N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide.
What is the SMILES notation for 3-(2-fluorophenyl)-N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide?
The canonical SMILES for 3-(2-fluorophenyl)-N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide is COc1ccccc1NS(=O)(=O)c1cccc(NC(=O)C=Cc2ccccc2F)c1.
What is the InChIKey of 3-(2-fluorophenyl)-N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide?
The InChIKey is SIXIBLCTHQMPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O4S/c1-29-21-12-5-4-11-20(21)25-30(27,28)18-9-6-8-17(15-18)24-22(26)14-13-16-7-2-3-10-19(16)23/h2-15,25H,1H3,(H,24,26).
What are the key properties of 3-(2-fluorophenyl)-N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide?
3-(2-fluorophenyl)-N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide has a molecular weight of 426.47 g/mol, XLogP of 4.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide is sourced from PubChem (CID 71904147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).