2-chloro-N-[3-(4-ethylsulfonylanilino)-3-oxopropyl]-4-fluorobenzamide

C18H18ClFN2O4S — CID 55759108

IUPAC2-chloro-N-[3-(4-ethylsulfonylanilino)-3-oxopropyl]-4-fluorobenzamide
SMILESCCS(=O)(=O)c1ccc(NC(=O)CCNC(=O)c2ccc(F)cc2Cl)cc1
InChIInChI=1S/C18H18ClFN2O4S/c1-2-27(25,26)14-6-4-13(5-7-14)22-17(23)9-10-21-18(24)15-8-3-12(20)11-16(15)19/h3-8,11H,2,9-10H2,1H3,(H,21,24)(H,22,23)
InChIKeyGJRBFAMKODIVBK-UHFFFAOYSA-N
MW412.87 g/mol
LogP3.03
Rot. Bonds7

About 2-chloro-N-[3-(4-ethylsulfonylanilino)-3-oxopropyl]-4-fluorobenzamide

2-chloro-N-[3-(4-ethylsulfonylanilino)-3-oxopropyl]-4-fluorobenzamide (PubChem CID 55759108) has the molecular formula C18H18ClFN2O4S and a molecular weight of 412.87 g/mol. Its IUPAC name is 2-chloro-N-[3-(4-ethylsulfonylanilino)-3-oxopropyl]-4-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[3-(4-ethylsulfonylanilino)-3-oxopropyl]-4-fluorobenzamide
PubChem CID55759108
Molecular FormulaC18H18ClFN2O4S
Molecular Weight412.87 g/mol
Exact Mass412.07
IUPAC Name2-chloro-N-[3-(4-ethylsulfonylanilino)-3-oxopropyl]-4-fluorobenzamide
SMILESCCS(=O)(=O)c1ccc(NC(=O)CCNC(=O)c2ccc(F)cc2Cl)cc1
InChIInChI=1S/C18H18ClFN2O4S/c1-2-27(25,26)14-6-4-13(5-7-14)22-17(23)9-10-21-18(24)15-8-3-12(20)11-16(15)19/h3-8,11H,2,9-10H2,1H3,(H,21,24)(H,22,23)
InChIKeyGJRBFAMKODIVBK-UHFFFAOYSA-N
XLogP3.03
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.87
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-chloro-N-[3-(4-ethylsulfonylanilino)-3-oxopropyl]-4-fluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-[3-[4-(ethylsulfonylamino)-3-methoxyanilino]-3-oxopropyl]-4-fluorobenzamide
CID 55956277
2-chloro-N-[3-(2,4-difluoroanilino)-3-oxopropyl]-4-fluorobenzamide
CID 55753021
5-[(2-chloro-4-fluorobenzoyl)amino]-N-(4-ethylsulfonylphenyl)-3-methylthiophene-2-carboxamide
CID 55870829
N-[3-[4-[butyl(methyl)sulfamoyl]anilino]-3-oxopropyl]-2,4-difluorobenzamide
CID 30669790
2-chloro-N-[4-(diethylsulfamoyl)phenyl]-4-fluorobenzamide
CID 9415986
2-chloro-N-[3-[(2-ethyl-2-hydroxybutyl)amino]-3-oxopropyl]-4-fluorobenzamide
CID 111483229
4-[(2-chloro-4-fluorobenzoyl)amino]benzenesulfonyl chloride
CID 43096347
N-(3-amino-3-sulfanylidenepropyl)-2-chloro-4-fluorobenzamide
CID 62666116
2-chloro-N-(4-ethylphenyl)-4-fluorobenzamide
CID 26697286
N-[3-(4-ethylsulfonylanilino)-3-oxopropyl]furan-2-carboxamide
CID 46693911
2-chloro-N-[3-(3-fluoro-4-methylanilino)-3-oxopropyl]benzamide
CID 7962908
2-chloro-N-[2-(diethylamino)ethyl]-4-fluorobenzamide
CID 17144545

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(4-ethylsulfonylanilino)-3-oxopropyl]-4-fluorobenzamide?
The IUPAC name of 2-chloro-N-[3-(4-ethylsulfonylanilino)-3-oxopropyl]-4-fluorobenzamide (CID 55759108) is 2-chloro-N-[3-(4-ethylsulfonylanilino)-3-oxopropyl]-4-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-[3-(4-ethylsulfonylanilino)-3-oxopropyl]-4-fluorobenzamide?
The canonical SMILES for 2-chloro-N-[3-(4-ethylsulfonylanilino)-3-oxopropyl]-4-fluorobenzamide is CCS(=O)(=O)c1ccc(NC(=O)CCNC(=O)c2ccc(F)cc2Cl)cc1.
What is the InChIKey of 2-chloro-N-[3-(4-ethylsulfonylanilino)-3-oxopropyl]-4-fluorobenzamide?
The InChIKey is GJRBFAMKODIVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN2O4S/c1-2-27(25,26)14-6-4-13(5-7-14)22-17(23)9-10-21-18(24)15-8-3-12(20)11-16(15)19/h3-8,11H,2,9-10H2,1H3,(H,21,24)(H,22,23).
What are the key properties of 2-chloro-N-[3-(4-ethylsulfonylanilino)-3-oxopropyl]-4-fluorobenzamide?
2-chloro-N-[3-(4-ethylsulfonylanilino)-3-oxopropyl]-4-fluorobenzamide has a molecular weight of 412.87 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(4-ethylsulfonylanilino)-3-oxopropyl]-4-fluorobenzamide is sourced from PubChem (CID 55759108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).