2-[(2-bromophenyl)sulfonylamino]-N-[2-(4-fluorophenyl)ethyl]acetamide

C16H16BrFN2O3S — CID 9391761

IUPAC2-[(2-bromophenyl)sulfonylamino]-N-[2-(4-fluorophenyl)ethyl]acetamide
SMILESO=C(CNS(=O)(=O)c1ccccc1Br)NCCc1ccc(F)cc1
InChIInChI=1S/C16H16BrFN2O3S/c17-14-3-1-2-4-15(14)24(22,23)20-11-16(21)19-10-9-12-5-7-13(18)8-6-12/h1-8,20H,9-11H2,(H,19,21)
InChIKeyBIJQZHIBAYBFBL-UHFFFAOYSA-N
MW415.28 g/mol
LogP2.23
Rot. Bonds7

About 2-[(2-bromophenyl)sulfonylamino]-N-[2-(4-fluorophenyl)ethyl]acetamide

2-[(2-bromophenyl)sulfonylamino]-N-[2-(4-fluorophenyl)ethyl]acetamide (PubChem CID 9391761) has the molecular formula C16H16BrFN2O3S and a molecular weight of 415.28 g/mol. Its IUPAC name is 2-[(2-bromophenyl)sulfonylamino]-N-[2-(4-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(2-bromophenyl)sulfonylamino]-N-[2-(4-fluorophenyl)ethyl]acetamide
PubChem CID9391761
Molecular FormulaC16H16BrFN2O3S
Molecular Weight415.28 g/mol
Exact Mass414.00
IUPAC Name2-[(2-bromophenyl)sulfonylamino]-N-[2-(4-fluorophenyl)ethyl]acetamide
SMILESO=C(CNS(=O)(=O)c1ccccc1Br)NCCc1ccc(F)cc1
InChIInChI=1S/C16H16BrFN2O3S/c17-14-3-1-2-4-15(14)24(22,23)20-11-16(21)19-10-9-12-5-7-13(18)8-6-12/h1-8,20H,9-11H2,(H,19,21)
InChIKeyBIJQZHIBAYBFBL-UHFFFAOYSA-N
XLogP2.23
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.28
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromoanilino)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 33161527
2-[(2-bromophenyl)sulfonylamino]-N-propylacetamide
CID 18192043
2-bromo-N-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]benzamide
CID 18104952
2-[[2-[(2-bromophenyl)sulfonylamino]acetyl]amino]-N-ethylacetamide
CID 9224655
2-(dimethylsulfamoylamino)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 112993422
2-[(2-bromo-4-fluorophenyl)sulfonylamino]-N-propylacetamide
CID 60824850
2-[(2-bromophenyl)sulfonylamino]-N-(3-fluorophenyl)acetamide
CID 9412386
2-(4-fluorophenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]acetamide
CID 112993239
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 9402713
2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(3-phenylpropyl)acetamide
CID 112994823
3-(2-bromophenyl)sulfanyl-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 55704570
N-[2-(4-fluorophenyl)ethyl]-2-(2-methylsulfanylanilino)acetamide
CID 35811388

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)sulfonylamino]-N-[2-(4-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-[(2-bromophenyl)sulfonylamino]-N-[2-(4-fluorophenyl)ethyl]acetamide (CID 9391761) is 2-[(2-bromophenyl)sulfonylamino]-N-[2-(4-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-[(2-bromophenyl)sulfonylamino]-N-[2-(4-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-[(2-bromophenyl)sulfonylamino]-N-[2-(4-fluorophenyl)ethyl]acetamide is O=C(CNS(=O)(=O)c1ccccc1Br)NCCc1ccc(F)cc1.
What is the InChIKey of 2-[(2-bromophenyl)sulfonylamino]-N-[2-(4-fluorophenyl)ethyl]acetamide?
The InChIKey is BIJQZHIBAYBFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFN2O3S/c17-14-3-1-2-4-15(14)24(22,23)20-11-16(21)19-10-9-12-5-7-13(18)8-6-12/h1-8,20H,9-11H2,(H,19,21).
What are the key properties of 2-[(2-bromophenyl)sulfonylamino]-N-[2-(4-fluorophenyl)ethyl]acetamide?
2-[(2-bromophenyl)sulfonylamino]-N-[2-(4-fluorophenyl)ethyl]acetamide has a molecular weight of 415.28 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)sulfonylamino]-N-[2-(4-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 9391761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).