[2-oxo-2-(4-sulfamoylanilino)ethyl] 2,6-difluorobenzoate

C15H12F2N2O5S — CID 2515189

IUPAC[2-oxo-2-(4-sulfamoylanilino)ethyl] 2,6-difluorobenzoate
SMILESNS(=O)(=O)c1ccc(NC(=O)COC(=O)c2c(F)cccc2F)cc1
InChIInChI=1S/C15H12F2N2O5S/c16-11-2-1-3-12(17)14(11)15(21)24-8-13(20)19-9-4-6-10(7-5-9)25(18,22)23/h1-7H,8H2,(H,19,20)(H2,18,22,23)
InChIKeySNLPERNXAZEZOO-UHFFFAOYSA-N
MW370.33 g/mol
LogP1.41
Rot. Bonds5

About [2-oxo-2-(4-sulfamoylanilino)ethyl] 2,6-difluorobenzoate

[2-oxo-2-(4-sulfamoylanilino)ethyl] 2,6-difluorobenzoate (PubChem CID 2515189) has the molecular formula C15H12F2N2O5S and a molecular weight of 370.33 g/mol. Its IUPAC name is [2-oxo-2-(4-sulfamoylanilino)ethyl] 2,6-difluorobenzoate.

Molecular Properties

Compound Name[2-oxo-2-(4-sulfamoylanilino)ethyl] 2,6-difluorobenzoate
PubChem CID2515189
Molecular FormulaC15H12F2N2O5S
Molecular Weight370.33 g/mol
Exact Mass370.04
IUPAC Name[2-oxo-2-(4-sulfamoylanilino)ethyl] 2,6-difluorobenzoate
SMILESNS(=O)(=O)c1ccc(NC(=O)COC(=O)c2c(F)cccc2F)cc1
InChIInChI=1S/C15H12F2N2O5S/c16-11-2-1-3-12(17)14(11)15(21)24-8-13(20)19-9-4-6-10(7-5-9)25(18,22)23/h1-7H,8H2,(H,19,20)(H2,18,22,23)
InChIKeySNLPERNXAZEZOO-UHFFFAOYSA-N
XLogP1.41
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.33
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2,6-difluorobenzoate
CID 2515162
[2-(4-tert-butylanilino)-2-oxoethyl] 2,6-difluorobenzoate
CID 7725764
[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl] 2-chloro-6-fluorobenzoate
CID 2501169
[2-(3-fluoroanilino)-2-oxoethyl] 2,6-difluorobenzoate
CID 2515125
[2-oxo-2-(4-sulfamoylanilino)ethyl] furan-2-carboxylate
CID 2389466
[2-[4-(azepan-1-yl)anilino]-2-oxoethyl] 2,6-difluorobenzoate
CID 9203360
[2-oxo-2-(4-sulfamoylanilino)ethyl] 3-fluoro-4-methoxybenzoate
CID 7522974
[2-(3-chloroanilino)-2-oxoethyl] 2,6-difluorobenzoate
CID 2515596
[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(3-fluorophenyl)acetate
CID 8589912
3-amino-N-(4-sulfamoylphenyl)propanamide
CID 10776616
[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2,6-difluorobenzoate
CID 2100586
[2-oxo-2-(4-sulfamoylanilino)ethyl] 4-methoxybenzoate
CID 2510265

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-sulfamoylanilino)ethyl] 2,6-difluorobenzoate?
The IUPAC name of [2-oxo-2-(4-sulfamoylanilino)ethyl] 2,6-difluorobenzoate (CID 2515189) is [2-oxo-2-(4-sulfamoylanilino)ethyl] 2,6-difluorobenzoate.
What is the SMILES notation for [2-oxo-2-(4-sulfamoylanilino)ethyl] 2,6-difluorobenzoate?
The canonical SMILES for [2-oxo-2-(4-sulfamoylanilino)ethyl] 2,6-difluorobenzoate is NS(=O)(=O)c1ccc(NC(=O)COC(=O)c2c(F)cccc2F)cc1.
What is the InChIKey of [2-oxo-2-(4-sulfamoylanilino)ethyl] 2,6-difluorobenzoate?
The InChIKey is SNLPERNXAZEZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N2O5S/c16-11-2-1-3-12(17)14(11)15(21)24-8-13(20)19-9-4-6-10(7-5-9)25(18,22)23/h1-7H,8H2,(H,19,20)(H2,18,22,23).
What are the key properties of [2-oxo-2-(4-sulfamoylanilino)ethyl] 2,6-difluorobenzoate?
[2-oxo-2-(4-sulfamoylanilino)ethyl] 2,6-difluorobenzoate has a molecular weight of 370.33 g/mol, XLogP of 1.41, 5 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] 2,6-difluorobenzoate is sourced from PubChem (CID 2515189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).