[2-oxo-2-(3-sulfamoylanilino)ethyl] 2-chloro-5-methylsulfonylbenzoate

C16H15ClN2O7S2 — CID 55311692

IUPAC[2-oxo-2-(3-sulfamoylanilino)ethyl] 2-chloro-5-methylsulfonylbenzoate
SMILESCS(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)Nc2cccc(S(N)(=O)=O)c2)c1
InChIInChI=1S/C16H15ClN2O7S2/c1-27(22,23)11-5-6-14(17)13(8-11)16(21)26-9-15(20)19-10-3-2-4-12(7-10)28(18,24)25/h2-8H,9H2,1H3,(H,19,20)(H2,18,24,25)
InChIKeyBCLJTRSQVRPEOA-UHFFFAOYSA-N
MW446.89 g/mol
LogP1.19
Rot. Bonds6

About [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-chloro-5-methylsulfonylbenzoate

[2-oxo-2-(3-sulfamoylanilino)ethyl] 2-chloro-5-methylsulfonylbenzoate (PubChem CID 55311692) has the molecular formula C16H15ClN2O7S2 and a molecular weight of 446.89 g/mol. Its IUPAC name is [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-chloro-5-methylsulfonylbenzoate.

Molecular Properties

Compound Name[2-oxo-2-(3-sulfamoylanilino)ethyl] 2-chloro-5-methylsulfonylbenzoate
PubChem CID55311692
Molecular FormulaC16H15ClN2O7S2
Molecular Weight446.89 g/mol
Exact Mass446.00
IUPAC Name[2-oxo-2-(3-sulfamoylanilino)ethyl] 2-chloro-5-methylsulfonylbenzoate
SMILESCS(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)Nc2cccc(S(N)(=O)=O)c2)c1
InChIInChI=1S/C16H15ClN2O7S2/c1-27(22,23)11-5-6-14(17)13(8-11)16(21)26-9-15(20)19-10-3-2-4-12(7-10)28(18,24)25/h2-8H,9H2,1H3,(H,19,20)(H2,18,24,25)
InChIKeyBCLJTRSQVRPEOA-UHFFFAOYSA-N
XLogP1.19
TPSA149.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.89
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[2-oxo-2-(3-sulfamoylanilino)ethyl] 2,5-dichlorobenzoate
CID 7723007
[2-(3-ethylanilino)-2-oxoethyl] 2-chloro-5-sulfamoylbenzoate
CID 7993763
[2-(4-methoxyanilino)-2-oxoethyl] 2-chloro-5-sulfamoylbenzoate
CID 7994064
[2-oxo-2-(3-sulfamoylanilino)ethyl] 5-chloro-2-fluorobenzoate
CID 8620088
[2-oxo-2-(4-phenoxyanilino)ethyl] 2-chloro-5-methylsulfonylbenzoate
CID 2503248
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-chloro-5-sulfamoylbenzoate
CID 7993772
[2-(4-ethoxyanilino)-2-oxoethyl] 2-chloro-5-sulfamoylbenzoate
CID 7994120
[2-oxo-2-(4-phenyldiazenylanilino)ethyl] 2-chloro-5-sulfamoylbenzoate
CID 42985637
[2-(2,5-dichloroanilino)-2-oxoethyl] 2-chloro-5-methylsulfonylbenzoate
CID 2503052
[2-oxo-2-(3-sulfamoylanilino)ethyl] 5-chloro-2-nitrobenzoate
CID 3987525
[2-(2-fluoroanilino)-2-oxoethyl] 2-chloro-5-methylsulfonylbenzoate
CID 2503213
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-chloro-5-methylsulfonylbenzoate
CID 2502558

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-chloro-5-methylsulfonylbenzoate?
The IUPAC name of [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-chloro-5-methylsulfonylbenzoate (CID 55311692) is [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-chloro-5-methylsulfonylbenzoate.
What is the SMILES notation for [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-chloro-5-methylsulfonylbenzoate?
The canonical SMILES for [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-chloro-5-methylsulfonylbenzoate is CS(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)Nc2cccc(S(N)(=O)=O)c2)c1.
What is the InChIKey of [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-chloro-5-methylsulfonylbenzoate?
The InChIKey is BCLJTRSQVRPEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O7S2/c1-27(22,23)11-5-6-14(17)13(8-11)16(21)26-9-15(20)19-10-3-2-4-12(7-10)28(18,24)25/h2-8H,9H2,1H3,(H,19,20)(H2,18,24,25).
What are the key properties of [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-chloro-5-methylsulfonylbenzoate?
[2-oxo-2-(3-sulfamoylanilino)ethyl] 2-chloro-5-methylsulfonylbenzoate has a molecular weight of 446.89 g/mol, XLogP of 1.19, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-chloro-5-methylsulfonylbenzoate is sourced from PubChem (CID 55311692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).