N-(3-chloro-4-fluorophenyl)-2-(N-(4-chlorophenyl)sulfonylanilino)acetamide

C20H15Cl2FN2O3S — CID 126034449

IUPACN-(3-chloro-4-fluorophenyl)-2-(N-(4-chlorophenyl)sulfonylanilino)acetamide
SMILESO=C(CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C20H15Cl2FN2O3S/c21-14-6-9-17(10-7-14)29(27,28)25(16-4-2-1-3-5-16)13-20(26)24-15-8-11-19(23)18(22)12-15/h1-12H,13H2,(H,24,26)
InChIKeyYSBFJNUUBNARTP-UHFFFAOYSA-N
MW453.32 g/mol
LogP4.97
Rot. Bonds6

About N-(3-chloro-4-fluorophenyl)-2-(N-(4-chlorophenyl)sulfonylanilino)acetamide

N-(3-chloro-4-fluorophenyl)-2-(N-(4-chlorophenyl)sulfonylanilino)acetamide (PubChem CID 126034449) has the molecular formula C20H15Cl2FN2O3S and a molecular weight of 453.32 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-(N-(4-chlorophenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-(N-(4-chlorophenyl)sulfonylanilino)acetamide
PubChem CID126034449
Molecular FormulaC20H15Cl2FN2O3S
Molecular Weight453.32 g/mol
Exact Mass452.02
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-(N-(4-chlorophenyl)sulfonylanilino)acetamide
SMILESO=C(CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C20H15Cl2FN2O3S/c21-14-6-9-17(10-7-14)29(27,28)25(16-4-2-1-3-5-16)13-20(26)24-15-8-11-19(23)18(22)12-15/h1-12H,13H2,(H,24,26)
InChIKeyYSBFJNUUBNARTP-UHFFFAOYSA-N
XLogP4.97
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.32
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[N-(benzenesulfonyl)-4-nitroanilino]-N-(3-chloro-4-fluorophenyl)acetamide
CID 2930433
N-(3-chloro-4-fluorophenyl)-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide
CID 30267261
N-(4-acetamidophenyl)-2-(N-(4-chlorophenyl)sulfonylanilino)acetamide
CID 126153307
N-(3-chloro-4-fluorophenyl)-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide
CID 1310867
2-(4-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-phenylacetamide
CID 1472193
N-(3,4-dichlorophenyl)-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
CID 126341497
N-(4-bromo-3-methylphenyl)-2-(N-(4-chlorophenyl)sulfonylanilino)acetamide
CID 126035125
N-(4-fluorophenyl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide
CID 2973617
2-[N-(benzenesulfonyl)-4-chloroanilino]-N-phenylacetamide
CID 1475349
2-(N-(4-chlorophenyl)sulfonylanilino)-N-(2,5-dichlorophenyl)acetamide
CID 126320810
2-[N-(benzenesulfonyl)-3-chloro-4-fluoroanilino]-N-(4-ethylphenyl)acetamide
CID 53281300
N-(3-chloro-4-fluorophenyl)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 126034182

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(N-(4-chlorophenyl)sulfonylanilino)acetamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(N-(4-chlorophenyl)sulfonylanilino)acetamide (CID 126034449) is N-(3-chloro-4-fluorophenyl)-2-(N-(4-chlorophenyl)sulfonylanilino)acetamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-(N-(4-chlorophenyl)sulfonylanilino)acetamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-(N-(4-chlorophenyl)sulfonylanilino)acetamide is O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-(N-(4-chlorophenyl)sulfonylanilino)acetamide?
The InChIKey is YSBFJNUUBNARTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2FN2O3S/c21-14-6-9-17(10-7-14)29(27,28)25(16-4-2-1-3-5-16)13-20(26)24-15-8-11-19(23)18(22)12-15/h1-12H,13H2,(H,24,26).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-(N-(4-chlorophenyl)sulfonylanilino)acetamide?
N-(3-chloro-4-fluorophenyl)-2-(N-(4-chlorophenyl)sulfonylanilino)acetamide has a molecular weight of 453.32 g/mol, XLogP of 4.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-(N-(4-chlorophenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 126034449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).