[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate

C15H11Cl2FN2O5S — CID 16537917

IUPAC[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate
SMILESNS(=O)(=O)c1cc(C(=O)OCC(=O)Nc2cc(Cl)ccc2F)ccc1Cl
InChIInChI=1S/C15H11Cl2FN2O5S/c16-9-2-4-11(18)12(6-9)20-14(21)7-25-15(22)8-1-3-10(17)13(5-8)26(19,23)24/h1-6H,7H2,(H,20,21)(H2,19,23,24)
InChIKeySGMUWUJIAOWWAA-UHFFFAOYSA-N
MW421.23 g/mol
LogP2.58
Rot. Bonds5

About [2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate

[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate (PubChem CID 16537917) has the molecular formula C15H11Cl2FN2O5S and a molecular weight of 421.23 g/mol. Its IUPAC name is [2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate.

Molecular Properties

Compound Name[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate
PubChem CID16537917
Molecular FormulaC15H11Cl2FN2O5S
Molecular Weight421.23 g/mol
Exact Mass419.97
IUPAC Name[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate
SMILESNS(=O)(=O)c1cc(C(=O)OCC(=O)Nc2cc(Cl)ccc2F)ccc1Cl
InChIInChI=1S/C15H11Cl2FN2O5S/c16-9-2-4-11(18)12(6-9)20-14(21)7-25-15(22)8-1-3-10(17)13(5-8)26(19,23)24/h1-6H,7H2,(H,20,21)(H2,19,23,24)
InChIKeySGMUWUJIAOWWAA-UHFFFAOYSA-N
XLogP2.58
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.23
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 4-methoxy-3-(methylsulfamoyl)benzoate
CID 55312769
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate
CID 16522179
[2-(2-benzylanilino)-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate
CID 55317751
[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 4-methyl-3-morpholin-4-ylsulfonylbenzoate
CID 55316003
[2-(3,4-dimethylanilino)-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate
CID 2615177
[2-(2,6-diethylanilino)-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate
CID 2615233
[2-[4-nitro-2-(trifluoromethyl)anilino]-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate
CID 55317641
[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate
CID 16598073
[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 2-chloro-4,5-difluorobenzoate
CID 7809812
[2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate
CID 4681833
[2-(2,5-dichloroanilino)-2-oxoethyl] 4-(methylsulfamoyl)benzoate
CID 55404196
[2-(cyclopentylamino)-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate
CID 2565326

Frequently Asked Questions

What is the IUPAC name of [2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate?
The IUPAC name of [2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate (CID 16537917) is [2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate.
What is the SMILES notation for [2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate?
The canonical SMILES for [2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate is NS(=O)(=O)c1cc(C(=O)OCC(=O)Nc2cc(Cl)ccc2F)ccc1Cl.
What is the InChIKey of [2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate?
The InChIKey is SGMUWUJIAOWWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2FN2O5S/c16-9-2-4-11(18)12(6-9)20-14(21)7-25-15(22)8-1-3-10(17)13(5-8)26(19,23)24/h1-6H,7H2,(H,20,21)(H2,19,23,24).
What are the key properties of [2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate?
[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate has a molecular weight of 421.23 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate is sourced from PubChem (CID 16537917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).