N-[2-(2-chloroanilino)-2-oxoethyl]-3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-methylbenzamide

C23H21ClFN3O4S — CID 26560876

IUPACN-[2-(2-chloroanilino)-2-oxoethyl]-3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-methylbenzamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(C(=O)N(C)CC(=O)Nc3ccccc3Cl)c2)cc1F
InChIInChI=1S/C23H21ClFN3O4S/c1-15-10-11-18(13-20(15)25)33(31,32)27-17-7-5-6-16(12-17)23(30)28(2)14-22(29)26-21-9-4-3-8-19(21)24/h3-13,27H,14H2,1-2H3,(H,26,29)
InChIKeyIVWGGUVQYNKJKM-UHFFFAOYSA-N
MW489.96 g/mol
LogP4.30
Rot. Bonds7

About N-[2-(2-chloroanilino)-2-oxoethyl]-3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-methylbenzamide

N-[2-(2-chloroanilino)-2-oxoethyl]-3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-methylbenzamide (PubChem CID 26560876) has the molecular formula C23H21ClFN3O4S and a molecular weight of 489.96 g/mol. Its IUPAC name is N-[2-(2-chloroanilino)-2-oxoethyl]-3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-methylbenzamide.

Molecular Properties

Compound NameN-[2-(2-chloroanilino)-2-oxoethyl]-3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-methylbenzamide
PubChem CID26560876
Molecular FormulaC23H21ClFN3O4S
Molecular Weight489.96 g/mol
Exact Mass489.09
IUPAC NameN-[2-(2-chloroanilino)-2-oxoethyl]-3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-methylbenzamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(C(=O)N(C)CC(=O)Nc3ccccc3Cl)c2)cc1F
InChIInChI=1S/C23H21ClFN3O4S/c1-15-10-11-18(13-20(15)25)33(31,32)27-17-7-5-6-16(12-17)23(30)28(2)14-22(29)26-21-9-4-3-8-19(21)24/h3-13,27H,14H2,1-2H3,(H,26,29)
InChIKeyIVWGGUVQYNKJKM-UHFFFAOYSA-N
XLogP4.30
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.96
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-chloroanilino)-2-oxoethyl]-3-[(3-chlorophenyl)sulfamoyl]-N-methylbenzamide
CID 26560928
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-methyl-N-(thiophen-3-ylmethyl)benzamide
CID 18117406
N-[2-[cyclohexyl(methyl)amino]ethyl]-3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-methylbenzamide
CID 60579589
N-(5-acetamido-2-chlorophenyl)-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide
CID 55980726
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N,N-bis(prop-2-enyl)benzamide
CID 78784405
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 26980104
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 26560772
3-[(3-chlorophenyl)sulfamoyl]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]benzamide
CID 27227245
N-(2,3-dimethylphenyl)-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide
CID 9342427
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide
CID 27760804
3-[(3-chloro-4-fluorophenyl)sulfonylamino]-N,N-dimethylbenzamide
CID 24629266
methyl 3-[[2-(2-chloroanilino)-2-oxoethyl]-methylcarbamoyl]benzoate
CID 55789119

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloroanilino)-2-oxoethyl]-3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-methylbenzamide?
The IUPAC name of N-[2-(2-chloroanilino)-2-oxoethyl]-3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-methylbenzamide (CID 26560876) is N-[2-(2-chloroanilino)-2-oxoethyl]-3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-methylbenzamide.
What is the SMILES notation for N-[2-(2-chloroanilino)-2-oxoethyl]-3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-methylbenzamide?
The canonical SMILES for N-[2-(2-chloroanilino)-2-oxoethyl]-3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-methylbenzamide is Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N(C)CC(=O)Nc3ccccc3Cl)c2)cc1F.
What is the InChIKey of N-[2-(2-chloroanilino)-2-oxoethyl]-3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-methylbenzamide?
The InChIKey is IVWGGUVQYNKJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClFN3O4S/c1-15-10-11-18(13-20(15)25)33(31,32)27-17-7-5-6-16(12-17)23(30)28(2)14-22(29)26-21-9-4-3-8-19(21)24/h3-13,27H,14H2,1-2H3,(H,26,29).
What are the key properties of N-[2-(2-chloroanilino)-2-oxoethyl]-3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-methylbenzamide?
N-[2-(2-chloroanilino)-2-oxoethyl]-3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-methylbenzamide has a molecular weight of 489.96 g/mol, XLogP of 4.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloroanilino)-2-oxoethyl]-3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-methylbenzamide is sourced from PubChem (CID 26560876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).