[2-(3-fluoroanilino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]acetate

C16H14F2N2O5S — CID 7954051

IUPAC[2-(3-fluoroanilino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]acetate
SMILESO=C(COC(=O)CNS(=O)(=O)c1ccc(F)cc1)Nc1cccc(F)c1
InChIInChI=1S/C16H14F2N2O5S/c17-11-4-6-14(7-5-11)26(23,24)19-9-16(22)25-10-15(21)20-13-3-1-2-12(18)8-13/h1-8,19H,9-10H2,(H,20,21)
InChIKeyKMXYDYZFFHRLRU-UHFFFAOYSA-N
MW384.36 g/mol
LogP1.42
Rot. Bonds7

About [2-(3-fluoroanilino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]acetate

[2-(3-fluoroanilino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]acetate (PubChem CID 7954051) has the molecular formula C16H14F2N2O5S and a molecular weight of 384.36 g/mol. Its IUPAC name is [2-(3-fluoroanilino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]acetate.

Molecular Properties

Compound Name[2-(3-fluoroanilino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]acetate
PubChem CID7954051
Molecular FormulaC16H14F2N2O5S
Molecular Weight384.36 g/mol
Exact Mass384.06
IUPAC Name[2-(3-fluoroanilino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]acetate
SMILESO=C(COC(=O)CNS(=O)(=O)c1ccc(F)cc1)Nc1cccc(F)c1
InChIInChI=1S/C16H14F2N2O5S/c17-11-4-6-14(7-5-11)26(23,24)19-9-16(22)25-10-15(21)20-13-3-1-2-12(18)8-13/h1-8,19H,9-10H2,(H,20,21)
InChIKeyKMXYDYZFFHRLRU-UHFFFAOYSA-N
XLogP1.42
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.36
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]acetate
CID 7954284
[2-(4-bromo-3-methylanilino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]acetate
CID 41350542
[2-(3-acetamidoanilino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 8924831
N-(3-fluorophenyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 17192108
2-(benzenesulfonamido)-N-(3-fluorophenyl)acetamide
CID 891841
[2-(3-fluoroanilino)-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate
CID 7877443
(2-anilino-2-oxoethyl) 2-[(4-acetamidophenyl)sulfonylamino]acetate
CID 7826786
[2-(4-chloro-2-methylanilino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]acetate
CID 7954053
[2-(2-methylanilino)-2-oxoethyl] 2-[(3-fluorophenyl)sulfonylamino]acetate
CID 7961710
[2-(3,4-difluoroanilino)-2-oxoethyl] 2-(naphthalen-2-ylsulfonylamino)acetate
CID 18775480
[2-oxo-2-(propan-2-ylamino)ethyl] 2-[(3-fluorophenyl)sulfonylamino]acetate
CID 7961583
[2-(3-fluoroanilino)-2-oxoethyl] 3-(4-methylphenyl)sulfonylpropanoate
CID 7168529

Frequently Asked Questions

What is the IUPAC name of [2-(3-fluoroanilino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]acetate?
The IUPAC name of [2-(3-fluoroanilino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]acetate (CID 7954051) is [2-(3-fluoroanilino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]acetate.
What is the SMILES notation for [2-(3-fluoroanilino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]acetate?
The canonical SMILES for [2-(3-fluoroanilino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]acetate is O=C(COC(=O)CNS(=O)(=O)c1ccc(F)cc1)Nc1cccc(F)c1.
What is the InChIKey of [2-(3-fluoroanilino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]acetate?
The InChIKey is KMXYDYZFFHRLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O5S/c17-11-4-6-14(7-5-11)26(23,24)19-9-16(22)25-10-15(21)20-13-3-1-2-12(18)8-13/h1-8,19H,9-10H2,(H,20,21).
What are the key properties of [2-(3-fluoroanilino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]acetate?
[2-(3-fluoroanilino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]acetate has a molecular weight of 384.36 g/mol, XLogP of 1.42, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluoroanilino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]acetate is sourced from PubChem (CID 7954051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).