2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-(4-bromo-3-chlorophenyl)acetamide

C20H15BrClFN2O3S — CID 2209343

IUPAC2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-(4-bromo-3-chlorophenyl)acetamide
SMILESO=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)Nc1ccc(Br)c(Cl)c1
InChIInChI=1S/C20H15BrClFN2O3S/c21-16-11-10-14(12-17(16)22)24-20(26)13-25(19-9-5-4-8-18(19)23)29(27,28)15-6-2-1-3-7-15/h1-12H,13H2,(H,24,26)
InChIKeyCFOZIPVRWDCYNM-UHFFFAOYSA-N
MW497.77 g/mol
LogP5.08
Rot. Bonds6

About 2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-(4-bromo-3-chlorophenyl)acetamide

2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-(4-bromo-3-chlorophenyl)acetamide (PubChem CID 2209343) has the molecular formula C20H15BrClFN2O3S and a molecular weight of 497.77 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-(4-bromo-3-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-(4-bromo-3-chlorophenyl)acetamide
PubChem CID2209343
Molecular FormulaC20H15BrClFN2O3S
Molecular Weight497.77 g/mol
Exact Mass495.97
IUPAC Name2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-(4-bromo-3-chlorophenyl)acetamide
SMILESO=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)Nc1ccc(Br)c(Cl)c1
InChIInChI=1S/C20H15BrClFN2O3S/c21-16-11-10-14(12-17(16)22)24-20(26)13-25(19-9-5-4-8-18(19)23)29(27,28)15-6-2-1-3-7-15/h1-12H,13H2,(H,24,26)
InChIKeyCFOZIPVRWDCYNM-UHFFFAOYSA-N
XLogP5.08
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.77
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-(4-bromo-3-chlorophenyl)acetamide
CID 126279267
methyl 5-[[2-[N-(benzenesulfonyl)-2-fluoroanilino]acetyl]amino]-2-chlorobenzoate
CID 2206174
ethyl 4-[[2-[N-(benzenesulfonyl)-2-fluoroanilino]acetyl]amino]-2-chlorobenzoate
CID 30304760
2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-(2-bromophenyl)acetamide
CID 1365040
2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-(4-bromo-3-methylphenyl)acetamide
CID 51344789
N-(3-chloro-4-fluorophenyl)-2-(N-(4-chlorophenyl)sulfonylanilino)acetamide
CID 126034449
2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-(3-chloro-4-fluorophenyl)acetamide
CID 126033701
2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(4-bromophenyl)acetamide
CID 2273343
2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-(4-ethoxyphenyl)acetamide
CID 1098100
2-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]-N-(3,4-dichlorophenyl)acetamide
CID 21371863
N-(3-chloro-4-fluorophenyl)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 126034182
2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-(2-fluorophenyl)acetamide
CID 2282100

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-(4-bromo-3-chlorophenyl)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-(4-bromo-3-chlorophenyl)acetamide (CID 2209343) is 2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-(4-bromo-3-chlorophenyl)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-(4-bromo-3-chlorophenyl)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-(4-bromo-3-chlorophenyl)acetamide is O=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)Nc1ccc(Br)c(Cl)c1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-(4-bromo-3-chlorophenyl)acetamide?
The InChIKey is CFOZIPVRWDCYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrClFN2O3S/c21-16-11-10-14(12-17(16)22)24-20(26)13-25(19-9-5-4-8-18(19)23)29(27,28)15-6-2-1-3-7-15/h1-12H,13H2,(H,24,26).
What are the key properties of 2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-(4-bromo-3-chlorophenyl)acetamide?
2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-(4-bromo-3-chlorophenyl)acetamide has a molecular weight of 497.77 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-(4-bromo-3-chlorophenyl)acetamide is sourced from PubChem (CID 2209343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).