2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-(2-bromophenyl)acetamide

C20H16BrFN2O3S — CID 1365040

IUPAC2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-(2-bromophenyl)acetamide
SMILESO=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)Nc1ccccc1Br
InChIInChI=1S/C20H16BrFN2O3S/c21-16-10-4-6-12-18(16)23-20(25)14-24(19-13-7-5-11-17(19)22)28(26,27)15-8-2-1-3-9-15/h1-13H,14H2,(H,23,25)
InChIKeyHUKLLQJIOMGQDV-UHFFFAOYSA-N
MW463.33 g/mol
LogP4.42
Rot. Bonds6

About 2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-(2-bromophenyl)acetamide

2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-(2-bromophenyl)acetamide (PubChem CID 1365040) has the molecular formula C20H16BrFN2O3S and a molecular weight of 463.33 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-(2-bromophenyl)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-(2-bromophenyl)acetamide
PubChem CID1365040
Molecular FormulaC20H16BrFN2O3S
Molecular Weight463.33 g/mol
Exact Mass462.00
IUPAC Name2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-(2-bromophenyl)acetamide
SMILESO=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)Nc1ccccc1Br
InChIInChI=1S/C20H16BrFN2O3S/c21-16-10-4-6-12-18(16)23-20(25)14-24(19-13-7-5-11-17(19)22)28(26,27)15-8-2-1-3-9-15/h1-13H,14H2,(H,23,25)
InChIKeyHUKLLQJIOMGQDV-UHFFFAOYSA-N
XLogP4.42
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.33
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-(2-ethylphenyl)acetamide
CID 1095217
2-[N-(benzenesulfonyl)-4-bromoanilino]-N-(2-bromophenyl)acetamide
CID 43891619
2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-(4-bromo-3-chlorophenyl)acetamide
CID 2209343
2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-(2,6-diethylphenyl)acetamide
CID 126120612
2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-(2-fluorophenyl)acetamide
CID 2282100
N-(2-bromophenyl)-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
CID 51345310
2-[benzenesulfonyl(ethyl)amino]-N-(2-bromophenyl)acetamide
CID 45371859
2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]acetamide
CID 43880458
2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-(4-ethoxyphenyl)acetamide
CID 1098100
2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
CID 100691544
2-[N-(benzenesulfonyl)anilino]-N-(4-bromo-2-fluorophenyl)acetamide
CID 26565252
2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 43910550

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-(2-bromophenyl)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-(2-bromophenyl)acetamide (CID 1365040) is 2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-(2-bromophenyl)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-(2-bromophenyl)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-(2-bromophenyl)acetamide is O=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)Nc1ccccc1Br.
What is the InChIKey of 2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-(2-bromophenyl)acetamide?
The InChIKey is HUKLLQJIOMGQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrFN2O3S/c21-16-10-4-6-12-18(16)23-20(25)14-24(19-13-7-5-11-17(19)22)28(26,27)15-8-2-1-3-9-15/h1-13H,14H2,(H,23,25).
What are the key properties of 2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-(2-bromophenyl)acetamide?
2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-(2-bromophenyl)acetamide has a molecular weight of 463.33 g/mol, XLogP of 4.42, 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-(2-bromophenyl)acetamide is sourced from PubChem (CID 1365040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).