N-(3-chlorophenyl)-2-fluoro-5-[phenyl(prop-2-enyl)sulfamoyl]benzamide

C22H18ClFN2O3S — CID 4611250

IUPACN-(3-chlorophenyl)-2-fluoro-5-[phenyl(prop-2-enyl)sulfamoyl]benzamide
SMILESC=CCN(c1ccccc1)S(=O)(=O)c1ccc(F)c(C(=O)Nc2cccc(Cl)c2)c1
InChIInChI=1S/C22H18ClFN2O3S/c1-2-13-26(18-9-4-3-5-10-18)30(28,29)19-11-12-21(24)20(15-19)22(27)25-17-8-6-7-16(23)14-17/h2-12,14-15H,1,13H2,(H,25,27)
InChIKeyMUOZUFXPAXASME-UHFFFAOYSA-N
MW444.92 g/mol
LogP5.11
Rot. Bonds7

About N-(3-chlorophenyl)-2-fluoro-5-[phenyl(prop-2-enyl)sulfamoyl]benzamide

N-(3-chlorophenyl)-2-fluoro-5-[phenyl(prop-2-enyl)sulfamoyl]benzamide (PubChem CID 4611250) has the molecular formula C22H18ClFN2O3S and a molecular weight of 444.92 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-fluoro-5-[phenyl(prop-2-enyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-fluoro-5-[phenyl(prop-2-enyl)sulfamoyl]benzamide
PubChem CID4611250
Molecular FormulaC22H18ClFN2O3S
Molecular Weight444.92 g/mol
Exact Mass444.07
IUPAC NameN-(3-chlorophenyl)-2-fluoro-5-[phenyl(prop-2-enyl)sulfamoyl]benzamide
SMILESC=CCN(c1ccccc1)S(=O)(=O)c1ccc(F)c(C(=O)Nc2cccc(Cl)c2)c1
InChIInChI=1S/C22H18ClFN2O3S/c1-2-13-26(18-9-4-3-5-10-18)30(28,29)19-11-12-21(24)20(15-19)22(27)25-17-8-6-7-16(23)14-17/h2-12,14-15H,1,13H2,(H,25,27)
InChIKeyMUOZUFXPAXASME-UHFFFAOYSA-N
XLogP5.11
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.92
LogP ≤ 55.11
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

2-chloro-5-[phenyl(prop-2-enyl)sulfamoyl]benzoic acid
CID 2375923
2-chloro-N-[(4-chlorophenyl)methyl]-5-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 5211087
N-[2-(cyclohexen-1-yl)ethyl]-2-fluoro-5-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 3333418
N-benzyl-2-chloro-5-[(4-chlorophenyl)-prop-2-enylsulfamoyl]benzamide
CID 3277354
[2-(3-methylanilino)-2-oxoethyl] 2-chloro-5-[phenyl(prop-2-enyl)sulfamoyl]benzoate
CID 40895172
N-(2-amino-2-oxoethyl)-2-chloro-5-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 9295541
N-(3-chlorophenyl)-2-fluoro-5-(2-phenylethylsulfamoyl)benzamide
CID 3348242
5-chloro-N-[3-(dimethylsulfamoyl)phenyl]-2-fluorobenzamide
CID 9077073
N-(3-chlorophenyl)-2-fluorobenzamide
CID 531935
N-(3-acetylphenyl)-2-chloro-5-[ethyl(phenyl)sulfamoyl]benzamide
CID 134059345
N-(3-chlorophenyl)-3-[ethyl(phenyl)sulfamoyl]-4-fluorobenzamide
CID 5169190
N-(3-acetylphenyl)-2-chloro-5-[(2-methoxyphenyl)-prop-2-enylsulfamoyl]benzamide
CID 2711528

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-fluoro-5-[phenyl(prop-2-enyl)sulfamoyl]benzamide?
The IUPAC name of N-(3-chlorophenyl)-2-fluoro-5-[phenyl(prop-2-enyl)sulfamoyl]benzamide (CID 4611250) is N-(3-chlorophenyl)-2-fluoro-5-[phenyl(prop-2-enyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-fluoro-5-[phenyl(prop-2-enyl)sulfamoyl]benzamide?
The canonical SMILES for N-(3-chlorophenyl)-2-fluoro-5-[phenyl(prop-2-enyl)sulfamoyl]benzamide is C=CCN(c1ccccc1)S(=O)(=O)c1ccc(F)c(C(=O)Nc2cccc(Cl)c2)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-fluoro-5-[phenyl(prop-2-enyl)sulfamoyl]benzamide?
The InChIKey is MUOZUFXPAXASME-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClFN2O3S/c1-2-13-26(18-9-4-3-5-10-18)30(28,29)19-11-12-21(24)20(15-19)22(27)25-17-8-6-7-16(23)14-17/h2-12,14-15H,1,13H2,(H,25,27).
What are the key properties of N-(3-chlorophenyl)-2-fluoro-5-[phenyl(prop-2-enyl)sulfamoyl]benzamide?
N-(3-chlorophenyl)-2-fluoro-5-[phenyl(prop-2-enyl)sulfamoyl]benzamide has a molecular weight of 444.92 g/mol, XLogP of 5.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-fluoro-5-[phenyl(prop-2-enyl)sulfamoyl]benzamide is sourced from PubChem (CID 4611250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).