N-[2-(cyclohexen-1-yl)ethyl]-2-fluoro-5-[phenyl(prop-2-enyl)sulfamoyl]benzamide

C24H27FN2O3S — CID 3333418

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-fluoro-5-[phenyl(prop-2-enyl)sulfamoyl]benzamide
SMILESC=CCN(c1ccccc1)S(=O)(=O)c1ccc(F)c(C(=O)NCCC2=CCCCC2)c1
InChIInChI=1S/C24H27FN2O3S/c1-2-17-27(20-11-7-4-8-12-20)31(29,30)21-13-14-23(25)22(18-21)24(28)26-16-15-19-9-5-3-6-10-19/h2,4,7-9,11-14,18H,1,3,5-6,10,15-17H2,(H,26,28)
InChIKeyTXQHHNREYWNJIE-UHFFFAOYSA-N
MW442.56 g/mol
LogP4.83
Rot. Bonds9

About N-[2-(cyclohexen-1-yl)ethyl]-2-fluoro-5-[phenyl(prop-2-enyl)sulfamoyl]benzamide

N-[2-(cyclohexen-1-yl)ethyl]-2-fluoro-5-[phenyl(prop-2-enyl)sulfamoyl]benzamide (PubChem CID 3333418) has the molecular formula C24H27FN2O3S and a molecular weight of 442.56 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-fluoro-5-[phenyl(prop-2-enyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-fluoro-5-[phenyl(prop-2-enyl)sulfamoyl]benzamide
PubChem CID3333418
Molecular FormulaC24H27FN2O3S
Molecular Weight442.56 g/mol
Exact Mass442.17
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-fluoro-5-[phenyl(prop-2-enyl)sulfamoyl]benzamide
SMILESC=CCN(c1ccccc1)S(=O)(=O)c1ccc(F)c(C(=O)NCCC2=CCCCC2)c1
InChIInChI=1S/C24H27FN2O3S/c1-2-17-27(20-11-7-4-8-12-20)31(29,30)21-13-14-23(25)22(18-21)24(28)26-16-15-19-9-5-3-6-10-19/h2,4,7-9,11-14,18H,1,3,5-6,10,15-17H2,(H,26,28)
InChIKeyTXQHHNREYWNJIE-UHFFFAOYSA-N
XLogP4.83
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-2-fluoro-5-(propan-2-ylsulfamoyl)benzamide
CID 55604780
N-(3-chlorophenyl)-2-fluoro-5-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 4611250
2-chloro-N-[(4-chlorophenyl)methyl]-5-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 5211087
N-(2-phenylethyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 16547658
2-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 126032040
N-benzyl-2-chloro-5-[(4-chlorophenyl)-prop-2-enylsulfamoyl]benzamide
CID 3277354
2-chloro-5-[phenyl(prop-2-enyl)sulfamoyl]benzoic acid
CID 2375923
[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] 4-[ethyl(phenyl)sulfamoyl]benzoate
CID 2587700
N-[2-(cyclohexen-1-yl)ethyl]-2-fluoro-4-hydroxybenzamide
CID 103939869
N-[2-(cyclohexen-1-yl)ethyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide
CID 30500746
2,4-dichloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 835962
N-[2-(cyclohexen-1-yl)ethyl]-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide
CID 126032316

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-fluoro-5-[phenyl(prop-2-enyl)sulfamoyl]benzamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-fluoro-5-[phenyl(prop-2-enyl)sulfamoyl]benzamide (CID 3333418) is N-[2-(cyclohexen-1-yl)ethyl]-2-fluoro-5-[phenyl(prop-2-enyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-fluoro-5-[phenyl(prop-2-enyl)sulfamoyl]benzamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-fluoro-5-[phenyl(prop-2-enyl)sulfamoyl]benzamide is C=CCN(c1ccccc1)S(=O)(=O)c1ccc(F)c(C(=O)NCCC2=CCCCC2)c1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-fluoro-5-[phenyl(prop-2-enyl)sulfamoyl]benzamide?
The InChIKey is TXQHHNREYWNJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN2O3S/c1-2-17-27(20-11-7-4-8-12-20)31(29,30)21-13-14-23(25)22(18-21)24(28)26-16-15-19-9-5-3-6-10-19/h2,4,7-9,11-14,18H,1,3,5-6,10,15-17H2,(H,26,28).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-fluoro-5-[phenyl(prop-2-enyl)sulfamoyl]benzamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-fluoro-5-[phenyl(prop-2-enyl)sulfamoyl]benzamide has a molecular weight of 442.56 g/mol, XLogP of 4.83, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-fluoro-5-[phenyl(prop-2-enyl)sulfamoyl]benzamide is sourced from PubChem (CID 3333418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).