2-(N-(4-bromophenyl)sulfonyl-4-fluoroanilino)acetamide

C14H12BrFN2O3S — CID 50890571

IUPAC2-(N-(4-bromophenyl)sulfonyl-4-fluoroanilino)acetamide
SMILESNC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C14H12BrFN2O3S/c15-10-1-7-13(8-2-10)22(20,21)18(9-14(17)19)12-5-3-11(16)4-6-12/h1-8H,9H2,(H2,17,19)
InChIKeyDPEQDGCSADITKP-UHFFFAOYSA-N
MW387.23 g/mol
LogP2.27
Rot. Bonds5

About 2-(N-(4-bromophenyl)sulfonyl-4-fluoroanilino)acetamide

2-(N-(4-bromophenyl)sulfonyl-4-fluoroanilino)acetamide (PubChem CID 50890571) has the molecular formula C14H12BrFN2O3S and a molecular weight of 387.23 g/mol. Its IUPAC name is 2-(N-(4-bromophenyl)sulfonyl-4-fluoroanilino)acetamide.

Molecular Properties

Compound Name2-(N-(4-bromophenyl)sulfonyl-4-fluoroanilino)acetamide
PubChem CID50890571
Molecular FormulaC14H12BrFN2O3S
Molecular Weight387.23 g/mol
Exact Mass385.97
IUPAC Name2-(N-(4-bromophenyl)sulfonyl-4-fluoroanilino)acetamide
SMILESNC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C14H12BrFN2O3S/c15-10-1-7-13(8-2-10)22(20,21)18(9-14(17)19)12-5-3-11(16)4-6-12/h1-8H,9H2,(H2,17,19)
InChIKeyDPEQDGCSADITKP-UHFFFAOYSA-N
XLogP2.27
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.23
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[N-(benzenesulfonyl)-4-bromoanilino]acetamide
CID 1099916
N-(4-bromophenyl)-2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)acetamide
CID 30259314
2-(N-(4-acetamidophenyl)sulfonyl-4-fluoroanilino)acetamide
CID 50889099
2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)acetamide
CID 50893049
4-(4-bromo-N-(4-fluorophenyl)sulfonylanilino)butanoic acid
CID 50890725
N-(4-bromophenyl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide
CID 1289283
2-[N-(benzenesulfonyl)-4-bromoanilino]acetate
CID 7329873
2-(N-(4-bromophenyl)sulfonyl-3-methoxyanilino)acetamide
CID 50891585
4-[carboxymethyl-(4-fluorophenyl)sulfonylamino]benzoic acid
CID 50894343
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[4-[(4-bromophenyl)sulfamoyl]phenyl]acetamide
CID 43881103
2-(N-(4-bromophenyl)sulfonyl-2,4,5-trichloroanilino)acetamide
CID 50895749
2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]acetamide
CID 43882332

Frequently Asked Questions

What is the IUPAC name of 2-(N-(4-bromophenyl)sulfonyl-4-fluoroanilino)acetamide?
The IUPAC name of 2-(N-(4-bromophenyl)sulfonyl-4-fluoroanilino)acetamide (CID 50890571) is 2-(N-(4-bromophenyl)sulfonyl-4-fluoroanilino)acetamide.
What is the SMILES notation for 2-(N-(4-bromophenyl)sulfonyl-4-fluoroanilino)acetamide?
The canonical SMILES for 2-(N-(4-bromophenyl)sulfonyl-4-fluoroanilino)acetamide is NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 2-(N-(4-bromophenyl)sulfonyl-4-fluoroanilino)acetamide?
The InChIKey is DPEQDGCSADITKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFN2O3S/c15-10-1-7-13(8-2-10)22(20,21)18(9-14(17)19)12-5-3-11(16)4-6-12/h1-8H,9H2,(H2,17,19).
What are the key properties of 2-(N-(4-bromophenyl)sulfonyl-4-fluoroanilino)acetamide?
2-(N-(4-bromophenyl)sulfonyl-4-fluoroanilino)acetamide has a molecular weight of 387.23 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(4-bromophenyl)sulfonyl-4-fluoroanilino)acetamide is sourced from PubChem (CID 50890571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).