N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3-(4-fluorophenyl)prop-2-enamide

C23H21FN2O3S — CID 4934055

IUPACN-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3-(4-fluorophenyl)prop-2-enamide
SMILESCc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)C=Cc2ccc(F)cc2)cc1
InChIInChI=1S/C23H21FN2O3S/c1-16-4-3-5-17(2)23(16)26-30(28,29)21-13-11-20(12-14-21)25-22(27)15-8-18-6-9-19(24)10-7-18/h3-15,26H,1-2H3,(H,25,27)
InChIKeyNNOCUBUWNDWQKR-UHFFFAOYSA-N
MW424.50 g/mol
LogP4.90
Rot. Bonds6

About N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3-(4-fluorophenyl)prop-2-enamide

N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3-(4-fluorophenyl)prop-2-enamide (PubChem CID 4934055) has the molecular formula C23H21FN2O3S and a molecular weight of 424.50 g/mol. Its IUPAC name is N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3-(4-fluorophenyl)prop-2-enamide.

Molecular Properties

Compound NameN-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3-(4-fluorophenyl)prop-2-enamide
PubChem CID4934055
Molecular FormulaC23H21FN2O3S
Molecular Weight424.50 g/mol
Exact Mass424.13
IUPAC NameN-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3-(4-fluorophenyl)prop-2-enamide
SMILESCc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)C=Cc2ccc(F)cc2)cc1
InChIInChI=1S/C23H21FN2O3S/c1-16-4-3-5-17(2)23(16)26-30(28,29)21-13-11-20(12-14-21)25-22(27)15-8-18-6-9-19(24)10-7-18/h3-15,26H,1-2H3,(H,25,27)
InChIKeyNNOCUBUWNDWQKR-UHFFFAOYSA-N
XLogP4.90
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 54.90
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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Related Compounds

3-(4-fluorophenyl)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 4276239
(Z)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]-3-phenylprop-2-enamide
CID 2179282
(E)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 55864211
3-(4-fluorophenyl)-N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]prop-2-enamide
CID 4105329
3-(4-fluorophenyl)-N-[4-(propylsulfamoyl)phenyl]prop-2-enamide
CID 4932632
N-[4-(cyclohexylsulfamoyl)phenyl]-3-(4-fluorophenyl)prop-2-enamide
CID 3456876
ethyl 4-[4-[(2,6-dimethylphenyl)sulfamoyl]anilino]-4-oxobut-2-enoate
CID 4933964
(E)-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-(4-methylphenyl)prop-2-enamide
CID 6128596
N-[4-[(3-methylphenyl)sulfamoyl]phenyl]-3-phenylprop-2-enamide
CID 1329810
(E)-3-(4-fluorophenyl)-N-[4-(2-phenylethylsulfamoyl)phenyl]prop-2-enamide
CID 6291291
(E)-N-[4-(diethylsulfamoyl)phenyl]-3-(4-fluorophenyl)prop-2-enamide
CID 1314257
3-(4-chlorophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]prop-2-enamide
CID 4052068

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3-(4-fluorophenyl)prop-2-enamide?
The IUPAC name of N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3-(4-fluorophenyl)prop-2-enamide (CID 4934055) is N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3-(4-fluorophenyl)prop-2-enamide.
What is the SMILES notation for N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3-(4-fluorophenyl)prop-2-enamide?
The canonical SMILES for N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3-(4-fluorophenyl)prop-2-enamide is Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)C=Cc2ccc(F)cc2)cc1.
What is the InChIKey of N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3-(4-fluorophenyl)prop-2-enamide?
The InChIKey is NNOCUBUWNDWQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O3S/c1-16-4-3-5-17(2)23(16)26-30(28,29)21-13-11-20(12-14-21)25-22(27)15-8-18-6-9-19(24)10-7-18/h3-15,26H,1-2H3,(H,25,27).
What are the key properties of N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3-(4-fluorophenyl)prop-2-enamide?
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3-(4-fluorophenyl)prop-2-enamide has a molecular weight of 424.50 g/mol, XLogP of 4.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3-(4-fluorophenyl)prop-2-enamide is sourced from PubChem (CID 4934055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).