[2-oxo-2-(4-sulfamoylanilino)ethyl] 3-fluoro-4-methoxybenzoate

C16H15FN2O6S — CID 7522974

IUPAC[2-oxo-2-(4-sulfamoylanilino)ethyl] 3-fluoro-4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1F
InChIInChI=1S/C16H15FN2O6S/c1-24-14-7-2-10(8-13(14)17)16(21)25-9-15(20)19-11-3-5-12(6-4-11)26(18,22)23/h2-8H,9H2,1H3,(H,19,20)(H2,18,22,23)
InChIKeyOAUWKQDRRKHYQW-UHFFFAOYSA-N
MW382.37 g/mol
LogP1.28
Rot. Bonds6

About [2-oxo-2-(4-sulfamoylanilino)ethyl] 3-fluoro-4-methoxybenzoate

[2-oxo-2-(4-sulfamoylanilino)ethyl] 3-fluoro-4-methoxybenzoate (PubChem CID 7522974) has the molecular formula C16H15FN2O6S and a molecular weight of 382.37 g/mol. Its IUPAC name is [2-oxo-2-(4-sulfamoylanilino)ethyl] 3-fluoro-4-methoxybenzoate.

Molecular Properties

Compound Name[2-oxo-2-(4-sulfamoylanilino)ethyl] 3-fluoro-4-methoxybenzoate
PubChem CID7522974
Molecular FormulaC16H15FN2O6S
Molecular Weight382.37 g/mol
Exact Mass382.06
IUPAC Name[2-oxo-2-(4-sulfamoylanilino)ethyl] 3-fluoro-4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1F
InChIInChI=1S/C16H15FN2O6S/c1-24-14-7-2-10(8-13(14)17)16(21)25-9-15(20)19-11-3-5-12(6-4-11)26(18,22)23/h2-8H,9H2,1H3,(H,19,20)(H2,18,22,23)
InChIKeyOAUWKQDRRKHYQW-UHFFFAOYSA-N
XLogP1.28
TPSA124.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.37
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(4-ethylanilino)-2-oxoethyl] 3-fluoro-4-methoxybenzoate
CID 7991360
[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 3-fluoro-4-methoxybenzoate
CID 8540649
[2-oxo-2-(4-sulfamoylanilino)ethyl] 3-(diethylsulfamoyl)-4-methoxybenzoate
CID 42981152
[2-(4-bromo-3-methylanilino)-2-oxoethyl] 3-fluoro-4-methoxybenzoate
CID 7991388
[2-oxo-2-(4-sulfamoylanilino)ethyl] 4-methoxybenzoate
CID 2510265
[2-(3,4-dichloroanilino)-2-oxoethyl] 3-fluoro-4-methoxybenzoate
CID 8702259
[2-(4-butylanilino)-2-oxoethyl] 3-fluoro-4-methoxybenzoate
CID 8702354
[2-oxo-2-(4-sulfamoylanilino)ethyl] 2,4,5-trimethoxybenzoate
CID 55316135
[2-(3-bromoanilino)-2-oxoethyl] 3-fluoro-4-methoxybenzoate
CID 7991384
[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 3-fluoro-4-methoxybenzoate
CID 7991426
dimethyl 5-[[2-(4-sulfamoylbenzoyl)oxyacetyl]amino]benzene-1,3-dicarboxylate
CID 55312802
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 3-chloro-4-fluorobenzoate
CID 46859616

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-sulfamoylanilino)ethyl] 3-fluoro-4-methoxybenzoate?
The IUPAC name of [2-oxo-2-(4-sulfamoylanilino)ethyl] 3-fluoro-4-methoxybenzoate (CID 7522974) is [2-oxo-2-(4-sulfamoylanilino)ethyl] 3-fluoro-4-methoxybenzoate.
What is the SMILES notation for [2-oxo-2-(4-sulfamoylanilino)ethyl] 3-fluoro-4-methoxybenzoate?
The canonical SMILES for [2-oxo-2-(4-sulfamoylanilino)ethyl] 3-fluoro-4-methoxybenzoate is COc1ccc(C(=O)OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1F.
What is the InChIKey of [2-oxo-2-(4-sulfamoylanilino)ethyl] 3-fluoro-4-methoxybenzoate?
The InChIKey is OAUWKQDRRKHYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O6S/c1-24-14-7-2-10(8-13(14)17)16(21)25-9-15(20)19-11-3-5-12(6-4-11)26(18,22)23/h2-8H,9H2,1H3,(H,19,20)(H2,18,22,23).
What are the key properties of [2-oxo-2-(4-sulfamoylanilino)ethyl] 3-fluoro-4-methoxybenzoate?
[2-oxo-2-(4-sulfamoylanilino)ethyl] 3-fluoro-4-methoxybenzoate has a molecular weight of 382.37 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-sulfamoylanilino)ethyl] 3-fluoro-4-methoxybenzoate is sourced from PubChem (CID 7522974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).