3-(4-fluorophenyl)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide

C22H19FN2O4S — CID 4276239

IUPAC3-(4-fluorophenyl)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)C=Cc3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C22H19FN2O4S/c1-29-20-11-7-19(8-12-20)25-30(27,28)21-13-9-18(10-14-21)24-22(26)15-4-16-2-5-17(23)6-3-16/h2-15,25H,1H3,(H,24,26)
InChIKeyPNQKLSXXEIGJCR-UHFFFAOYSA-N
MW426.47 g/mol
LogP4.29
Rot. Bonds7

About 3-(4-fluorophenyl)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide

3-(4-fluorophenyl)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide (PubChem CID 4276239) has the molecular formula C22H19FN2O4S and a molecular weight of 426.47 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
PubChem CID4276239
Molecular FormulaC22H19FN2O4S
Molecular Weight426.47 g/mol
Exact Mass426.10
IUPAC Name3-(4-fluorophenyl)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)C=Cc3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C22H19FN2O4S/c1-29-20-11-7-19(8-12-20)25-30(27,28)21-13-9-18(10-14-21)24-22(26)15-4-16-2-5-17(23)6-3-16/h2-15,25H,1H3,(H,24,26)
InChIKeyPNQKLSXXEIGJCR-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

(E)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-(4-nitrophenyl)prop-2-enamide
CID 17186907
(E)-N-(2-fluoro-4-methylphenyl)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 26666081
(E)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enoic acid
CID 2345488
3-(2-methoxyphenyl)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 5114432
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3-(4-fluorophenyl)prop-2-enamide
CID 4934055
3-(4-methoxyphenyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]prop-2-enamide
CID 1312196
N-(4-methoxyphenyl)-4-[(E)-3-oxo-3-[2-(2,3,5,6-tetrafluorophenyl)hydrazinyl]prop-1-enyl]benzenesulfonamide
CID 2127250
N-[4-(dimethylsulfamoyl)phenyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 3316575
3-(4-fluorophenyl)-N-[4-(propylsulfamoyl)phenyl]prop-2-enamide
CID 4932632
(E)-3-(4-methoxyphenyl)-N-(4-piperidin-1-ylsulfonylphenyl)prop-2-enamide
CID 1363250
3-(3,4-dimethoxyphenyl)-N-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]carbamothioyl]prop-2-enamide
CID 4659269
N-[4-(diethylsulfamoyl)phenyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 1293099

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide (CID 4276239) is 3-(4-fluorophenyl)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide is COc1ccc(NS(=O)(=O)c2ccc(NC(=O)C=Cc3ccc(F)cc3)cc2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide?
The InChIKey is PNQKLSXXEIGJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O4S/c1-29-20-11-7-19(8-12-20)25-30(27,28)21-13-9-18(10-14-21)24-22(26)15-4-16-2-5-17(23)6-3-16/h2-15,25H,1H3,(H,24,26).
What are the key properties of 3-(4-fluorophenyl)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide?
3-(4-fluorophenyl)-N-[4-[(4-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-(4-fluorophenyl)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide is sourced from PubChem (CID 4276239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).