4-chloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-[(4-fluorophenyl)sulfonylamino]benzamide

C23H21ClFN3O4S — CID 2548852

IUPAC4-chloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-[(4-fluorophenyl)sulfonylamino]benzamide
SMILESCc1cccc(NC(=O)CNC(=O)c2ccc(Cl)c(NS(=O)(=O)c3ccc(F)cc3)c2)c1C
InChIInChI=1S/C23H21ClFN3O4S/c1-14-4-3-5-20(15(14)2)27-22(29)13-26-23(30)16-6-11-19(24)21(12-16)28-33(31,32)18-9-7-17(25)8-10-18/h3-12,28H,13H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyMGWFGRSDMXWIHW-UHFFFAOYSA-N
MW489.96 g/mol
LogP4.27
Rot. Bonds7

About 4-chloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-[(4-fluorophenyl)sulfonylamino]benzamide

4-chloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-[(4-fluorophenyl)sulfonylamino]benzamide (PubChem CID 2548852) has the molecular formula C23H21ClFN3O4S and a molecular weight of 489.96 g/mol. Its IUPAC name is 4-chloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-[(4-fluorophenyl)sulfonylamino]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-[(4-fluorophenyl)sulfonylamino]benzamide
PubChem CID2548852
Molecular FormulaC23H21ClFN3O4S
Molecular Weight489.96 g/mol
Exact Mass489.09
IUPAC Name4-chloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-[(4-fluorophenyl)sulfonylamino]benzamide
SMILESCc1cccc(NC(=O)CNC(=O)c2ccc(Cl)c(NS(=O)(=O)c3ccc(F)cc3)c2)c1C
InChIInChI=1S/C23H21ClFN3O4S/c1-14-4-3-5-20(15(14)2)27-22(29)13-26-23(30)16-6-11-19(24)21(12-16)28-33(31,32)18-9-7-17(25)8-10-18/h3-12,28H,13H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyMGWFGRSDMXWIHW-UHFFFAOYSA-N
XLogP4.27
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.96
LogP ≤ 54.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(2-chlorophenyl)-3-[(4-fluorophenyl)sulfonylamino]benzamide
CID 30879902
N-benzyl-4-chloro-3-[(4-fluorophenyl)sulfonylamino]benzamide
CID 27670254
4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-[[3-(methoxymethyl)phenyl]methyl]benzamide
CID 55727433
N-(2,3-dimethylphenyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide
CID 8015612
4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-hexylbenzamide
CID 32646922
4-[(2,3-dimethylphenyl)sulfamoyl]-N-(4-fluoro-2-methylphenyl)benzamide
CID 7908370
4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide
CID 47080388
4-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]-3-[(4-fluorophenyl)sulfonylamino]benzamide
CID 27773510
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-[(4-fluorophenyl)sulfamoyl]benzamide
CID 27760581
4-chloro-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-[(4-fluorophenyl)sulfonylamino]benzamide
CID 26006052
4-[(2-methylphenyl)sulfamoyl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 25353015
2,4-dichloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]benzamide
CID 9342302

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-[(4-fluorophenyl)sulfonylamino]benzamide?
The IUPAC name of 4-chloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-[(4-fluorophenyl)sulfonylamino]benzamide (CID 2548852) is 4-chloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-[(4-fluorophenyl)sulfonylamino]benzamide.
What is the SMILES notation for 4-chloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-[(4-fluorophenyl)sulfonylamino]benzamide?
The canonical SMILES for 4-chloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-[(4-fluorophenyl)sulfonylamino]benzamide is Cc1cccc(NC(=O)CNC(=O)c2ccc(Cl)c(NS(=O)(=O)c3ccc(F)cc3)c2)c1C.
What is the InChIKey of 4-chloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-[(4-fluorophenyl)sulfonylamino]benzamide?
The InChIKey is MGWFGRSDMXWIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClFN3O4S/c1-14-4-3-5-20(15(14)2)27-22(29)13-26-23(30)16-6-11-19(24)21(12-16)28-33(31,32)18-9-7-17(25)8-10-18/h3-12,28H,13H2,1-2H3,(H,26,30)(H,27,29).
What are the key properties of 4-chloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-[(4-fluorophenyl)sulfonylamino]benzamide?
4-chloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-[(4-fluorophenyl)sulfonylamino]benzamide has a molecular weight of 489.96 g/mol, XLogP of 4.27, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-[(4-fluorophenyl)sulfonylamino]benzamide is sourced from PubChem (CID 2548852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).