N-(4-bromophenyl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide

C20H16BrFN2O3S — CID 1289283

IUPACN-(4-bromophenyl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide
SMILESO=C(CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)Nc1ccc(Br)cc1
InChIInChI=1S/C20H16BrFN2O3S/c21-15-6-10-17(11-7-15)23-20(25)14-24(18-4-2-1-3-5-18)28(26,27)19-12-8-16(22)9-13-19/h1-13H,14H2,(H,23,25)
InChIKeyIAPRQGRKGBBFTH-UHFFFAOYSA-N
MW463.33 g/mol
LogP4.42
Rot. Bonds6

About N-(4-bromophenyl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide

N-(4-bromophenyl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide (PubChem CID 1289283) has the molecular formula C20H16BrFN2O3S and a molecular weight of 463.33 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide
PubChem CID1289283
Molecular FormulaC20H16BrFN2O3S
Molecular Weight463.33 g/mol
Exact Mass462.00
IUPAC NameN-(4-bromophenyl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide
SMILESO=C(CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)Nc1ccc(Br)cc1
InChIInChI=1S/C20H16BrFN2O3S/c21-15-6-10-17(11-7-15)23-20(25)14-24(18-4-2-1-3-5-18)28(26,27)19-12-8-16(22)9-13-19/h1-13H,14H2,(H,23,25)
InChIKeyIAPRQGRKGBBFTH-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

N-(4-bromophenyl)-2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)acetamide
CID 30259314
N-(4-fluorophenyl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide
CID 2973617
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[4-[(4-bromophenyl)sulfamoyl]phenyl]acetamide
CID 43881103
2-[N-(benzenesulfonyl)anilino]-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]acetamide
CID 43880207
2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]acetamide
CID 43882332
2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-(4-methylphenyl)acetamide
CID 1361908
2-(N-(4-fluorophenyl)sulfonylanilino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 100511409
N-(2,6-difluorophenyl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide
CID 2223913
2-[N-(benzenesulfonyl)-3-methylanilino]-N-(4-fluorophenyl)acetamide
CID 1288293
N-(4-fluorophenyl)-2-(N-methylsulfonylanilino)acetamide
CID 773985
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(4-bromo-2-fluorophenyl)acetamide
CID 21371746
2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 43915486

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide?
The IUPAC name of N-(4-bromophenyl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide (CID 1289283) is N-(4-bromophenyl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide is O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide?
The InChIKey is IAPRQGRKGBBFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrFN2O3S/c21-15-6-10-17(11-7-15)23-20(25)14-24(18-4-2-1-3-5-18)28(26,27)19-12-8-16(22)9-13-19/h1-13H,14H2,(H,23,25).
What are the key properties of N-(4-bromophenyl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide?
N-(4-bromophenyl)-2-(N-(4-fluorophenyl)sulfonylanilino)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 N-(4-bromophenyl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 1289283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).