[2-(2-chloroanilino)-2-oxoethyl] (2S)-2-[(4-fluorophenyl)sulfonylamino]propanoate

C17H16ClFN2O5S — CID 8936166

IUPAC[2-(2-chloroanilino)-2-oxoethyl] (2S)-2-[(4-fluorophenyl)sulfonylamino]propanoate
SMILESC[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)OCC(=O)Nc1ccccc1Cl
InChIInChI=1S/C17H16ClFN2O5S/c1-11(21-27(24,25)13-8-6-12(19)7-9-13)17(23)26-10-16(22)20-15-5-3-2-4-14(15)18/h2-9,11,21H,10H2,1H3,(H,20,22)/t11-/m0/s1
InChIKeyWIBLGNLIOIJJDE-NSHDSACASA-N
MW414.84 g/mol
LogP2.33
Rot. Bonds7

About [2-(2-chloroanilino)-2-oxoethyl] (2S)-2-[(4-fluorophenyl)sulfonylamino]propanoate

[2-(2-chloroanilino)-2-oxoethyl] (2S)-2-[(4-fluorophenyl)sulfonylamino]propanoate (PubChem CID 8936166) has the molecular formula C17H16ClFN2O5S and a molecular weight of 414.84 g/mol. Its IUPAC name is [2-(2-chloroanilino)-2-oxoethyl] (2S)-2-[(4-fluorophenyl)sulfonylamino]propanoate.

Molecular Properties

Compound Name[2-(2-chloroanilino)-2-oxoethyl] (2S)-2-[(4-fluorophenyl)sulfonylamino]propanoate
PubChem CID8936166
Molecular FormulaC17H16ClFN2O5S
Molecular Weight414.84 g/mol
Exact Mass414.05
IUPAC Name[2-(2-chloroanilino)-2-oxoethyl] (2S)-2-[(4-fluorophenyl)sulfonylamino]propanoate
SMILESC[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)OCC(=O)Nc1ccccc1Cl
InChIInChI=1S/C17H16ClFN2O5S/c1-11(21-27(24,25)13-8-6-12(19)7-9-13)17(23)26-10-16(22)20-15-5-3-2-4-14(15)18/h2-9,11,21H,10H2,1H3,(H,20,22)/t11-/m0/s1
InChIKeyWIBLGNLIOIJJDE-NSHDSACASA-N
XLogP2.33
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.84
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2,6-dimethylanilino)-2-oxoethyl] (2S)-2-[(4-fluorophenyl)sulfonylamino]propanoate
CID 7609014
[2-(2-chloroanilino)-2-oxoethyl] (2S)-2-[(2-chlorobenzoyl)amino]propanoate
CID 7570560
[2-(2-cyanoanilino)-2-oxoethyl] (2R)-2-[(4-methylphenyl)sulfonylamino]propanoate
CID 2455479
[2-(methylamino)-2-oxoethyl] (2S)-2-[(4-chlorophenyl)sulfonylamino]propanoate
CID 8841754
[2-[2-(4-methylphenoxy)anilino]-2-oxoethyl] (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 42463282
N-(2-chlorophenyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 17192162
[2-(4-acetamidoanilino)-2-oxoethyl] (2S)-2-(benzenesulfonamido)propanoate
CID 55927755
[2-(3-methoxyanilino)-2-oxoethyl] (2S)-2-[(4-chlorophenyl)sulfonylamino]propanoate
CID 55927790
[2-(3-fluoroanilino)-2-oxoethyl] (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 8843274
[2-(2,5-difluoroanilino)-2-oxoethyl] (2S)-2-[(2-chlorobenzoyl)amino]propanoate
CID 7570685
N-(2-ethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 3256191
[2-(2-chloroanilino)-2-oxoethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanoate
CID 51549713

Frequently Asked Questions

What is the IUPAC name of [2-(2-chloroanilino)-2-oxoethyl] (2S)-2-[(4-fluorophenyl)sulfonylamino]propanoate?
The IUPAC name of [2-(2-chloroanilino)-2-oxoethyl] (2S)-2-[(4-fluorophenyl)sulfonylamino]propanoate (CID 8936166) is [2-(2-chloroanilino)-2-oxoethyl] (2S)-2-[(4-fluorophenyl)sulfonylamino]propanoate.
What is the SMILES notation for [2-(2-chloroanilino)-2-oxoethyl] (2S)-2-[(4-fluorophenyl)sulfonylamino]propanoate?
The canonical SMILES for [2-(2-chloroanilino)-2-oxoethyl] (2S)-2-[(4-fluorophenyl)sulfonylamino]propanoate is C[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)OCC(=O)Nc1ccccc1Cl.
What is the InChIKey of [2-(2-chloroanilino)-2-oxoethyl] (2S)-2-[(4-fluorophenyl)sulfonylamino]propanoate?
The InChIKey is WIBLGNLIOIJJDE-NSHDSACASA-N. The full InChI is InChI=1S/C17H16ClFN2O5S/c1-11(21-27(24,25)13-8-6-12(19)7-9-13)17(23)26-10-16(22)20-15-5-3-2-4-14(15)18/h2-9,11,21H,10H2,1H3,(H,20,22)/t11-/m0/s1.
What are the key properties of [2-(2-chloroanilino)-2-oxoethyl] (2S)-2-[(4-fluorophenyl)sulfonylamino]propanoate?
[2-(2-chloroanilino)-2-oxoethyl] (2S)-2-[(4-fluorophenyl)sulfonylamino]propanoate has a molecular weight of 414.84 g/mol, XLogP of 2.33, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chloroanilino)-2-oxoethyl] (2S)-2-[(4-fluorophenyl)sulfonylamino]propanoate is sourced from PubChem (CID 8936166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).