[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(3-fluorophenyl)acetate

C16H15FN2O5S — CID 8589912

IUPAC[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(3-fluorophenyl)acetate
SMILESNS(=O)(=O)c1ccc(NC(=O)COC(=O)Cc2cccc(F)c2)cc1
InChIInChI=1S/C16H15FN2O5S/c17-12-3-1-2-11(8-12)9-16(21)24-10-15(20)19-13-4-6-14(7-5-13)25(18,22)23/h1-8H,9-10H2,(H,19,20)(H2,18,22,23)
InChIKeyILVKIOLOOUUTCQ-UHFFFAOYSA-N
MW366.37 g/mol
LogP1.20
Rot. Bonds6

About [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(3-fluorophenyl)acetate

[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(3-fluorophenyl)acetate (PubChem CID 8589912) has the molecular formula C16H15FN2O5S and a molecular weight of 366.37 g/mol. Its IUPAC name is [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(3-fluorophenyl)acetate.

Molecular Properties

Compound Name[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(3-fluorophenyl)acetate
PubChem CID8589912
Molecular FormulaC16H15FN2O5S
Molecular Weight366.37 g/mol
Exact Mass366.07
IUPAC Name[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(3-fluorophenyl)acetate
SMILESNS(=O)(=O)c1ccc(NC(=O)COC(=O)Cc2cccc(F)c2)cc1
InChIInChI=1S/C16H15FN2O5S/c17-12-3-1-2-11(8-12)9-16(21)24-10-15(20)19-13-4-6-14(7-5-13)25(18,22)23/h1-8H,9-10H2,(H,19,20)(H2,18,22,23)
InChIKeyILVKIOLOOUUTCQ-UHFFFAOYSA-N
XLogP1.20
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3-fluoroanilino)-2-oxoethyl] 2-(3-fluorophenyl)acetate
CID 8589788
[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(4-phenylphenyl)acetate
CID 2119188
[2-(2,5-difluoroanilino)-2-oxoethyl] 2-(3-fluorophenyl)acetate
CID 8589809
1-[(3-fluorophenyl)methyl]-3-(4-sulfamoylphenyl)urea
CID 108898468
[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 2-(3-fluorophenyl)acetate
CID 8590459
[2-(4-fluoroanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate
CID 7840231
[2-(4-fluoroanilino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate
CID 7767521
[2-oxo-2-(4-sulfamoylanilino)ethyl] 2,6-difluorobenzoate
CID 2515189
[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-thiophen-2-ylacetate
CID 7798869
[2-(2-chloro-5-fluoroanilino)-2-oxoethyl] 2-(3-fluorophenyl)acetate
CID 71820754
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-(3-fluorophenyl)acetate
CID 8590501
1-ethyl-1-[(3-fluorophenyl)methyl]-3-(4-sulfamoylphenyl)urea
CID 27871672

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(3-fluorophenyl)acetate?
The IUPAC name of [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(3-fluorophenyl)acetate (CID 8589912) is [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(3-fluorophenyl)acetate.
What is the SMILES notation for [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(3-fluorophenyl)acetate?
The canonical SMILES for [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(3-fluorophenyl)acetate is NS(=O)(=O)c1ccc(NC(=O)COC(=O)Cc2cccc(F)c2)cc1.
What is the InChIKey of [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(3-fluorophenyl)acetate?
The InChIKey is ILVKIOLOOUUTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O5S/c17-12-3-1-2-11(8-12)9-16(21)24-10-15(20)19-13-4-6-14(7-5-13)25(18,22)23/h1-8H,9-10H2,(H,19,20)(H2,18,22,23).
What are the key properties of [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(3-fluorophenyl)acetate?
[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(3-fluorophenyl)acetate has a molecular weight of 366.37 g/mol, XLogP of 1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(3-fluorophenyl)acetate is sourced from PubChem (CID 8589912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).