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

C18H19FN2O3S — CID 4932632

IUPAC3-(4-fluorophenyl)-N-[4-(propylsulfamoyl)phenyl]prop-2-enamide
SMILESCCCNS(=O)(=O)c1ccc(NC(=O)C=Cc2ccc(F)cc2)cc1
InChIInChI=1S/C18H19FN2O3S/c1-2-13-20-25(23,24)17-10-8-16(9-11-17)21-18(22)12-5-14-3-6-15(19)7-4-14/h3-12,20H,2,13H2,1H3,(H,21,22)
InChIKeyQLXKQTSGWIFTMA-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.17
Rot. Bonds7

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

3-(4-fluorophenyl)-N-[4-(propylsulfamoyl)phenyl]prop-2-enamide (PubChem CID 4932632) has the molecular formula C18H19FN2O3S and a molecular weight of 362.43 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[4-(propylsulfamoyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[4-(propylsulfamoyl)phenyl]prop-2-enamide
PubChem CID4932632
Molecular FormulaC18H19FN2O3S
Molecular Weight362.43 g/mol
Exact Mass362.11
IUPAC Name3-(4-fluorophenyl)-N-[4-(propylsulfamoyl)phenyl]prop-2-enamide
SMILESCCCNS(=O)(=O)c1ccc(NC(=O)C=Cc2ccc(F)cc2)cc1
InChIInChI=1S/C18H19FN2O3S/c1-2-13-20-25(23,24)17-10-8-16(9-11-17)21-18(22)12-5-14-3-6-15(19)7-4-14/h3-12,20H,2,13H2,1H3,(H,21,22)
InChIKeyQLXKQTSGWIFTMA-UHFFFAOYSA-N
XLogP3.17
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.17
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

(E)-3-(4-fluorophenyl)-N-[4-(2-phenylethylsulfamoyl)phenyl]prop-2-enamide
CID 6291291
3-(4-chlorophenyl)-N-[4-(hexylsulfamoyl)phenyl]prop-2-enamide
CID 3331699
(E)-N-[4-(diethylsulfamoyl)phenyl]-3-(4-fluorophenyl)prop-2-enamide
CID 1314257
3-phenyl-N-[[4-(propylsulfamoyl)phenyl]carbamothioyl]prop-2-enamide
CID 4932903
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3-(4-fluorophenyl)prop-2-enamide
CID 4934055
(E)-3-(2-chlorophenyl)-N-[4-(propylsulfamoyl)phenyl]prop-2-enamide
CID 6233954
3-(4-fluorophenyl)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 4276239
N-[4-(cyclohexylsulfamoyl)phenyl]-3-(4-fluorophenyl)prop-2-enamide
CID 3456876
3-(4-fluorophenyl)-N-(4-propoxyphenyl)prop-2-enamide
CID 4943064
N-(4-fluorophenyl)-3-(4-propoxyphenyl)prop-2-enamide
CID 2791684
(E)-3-(1,3-benzodioxol-5-yl)-N-[4-(butylsulfamoyl)phenyl]prop-2-enamide
CID 2188993
1-(4-fluorophenyl)-N-[4-(propylsulfamoyl)phenyl]cyclopropane-1-carboxamide
CID 34175638

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[4-(propylsulfamoyl)phenyl]prop-2-enamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[4-(propylsulfamoyl)phenyl]prop-2-enamide (CID 4932632) is 3-(4-fluorophenyl)-N-[4-(propylsulfamoyl)phenyl]prop-2-enamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[4-(propylsulfamoyl)phenyl]prop-2-enamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[4-(propylsulfamoyl)phenyl]prop-2-enamide is CCCNS(=O)(=O)c1ccc(NC(=O)C=Cc2ccc(F)cc2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[4-(propylsulfamoyl)phenyl]prop-2-enamide?
The InChIKey is QLXKQTSGWIFTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3S/c1-2-13-20-25(23,24)17-10-8-16(9-11-17)21-18(22)12-5-14-3-6-15(19)7-4-14/h3-12,20H,2,13H2,1H3,(H,21,22).
What are the key properties of 3-(4-fluorophenyl)-N-[4-(propylsulfamoyl)phenyl]prop-2-enamide?
3-(4-fluorophenyl)-N-[4-(propylsulfamoyl)phenyl]prop-2-enamide has a molecular weight of 362.43 g/mol, XLogP of 3.17, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[4-(propylsulfamoyl)phenyl]prop-2-enamide is sourced from PubChem (CID 4932632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).