[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-[2-(3,5-dichloroanilino)-2-oxoethyl]sulfanylbenzoate

C23H19Cl2N3O6S2 — CID 4841505

IUPAC[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-[2-(3,5-dichloroanilino)-2-oxoethyl]sulfanylbenzoate
SMILESNS(=O)(=O)c1ccc(NC(=O)COC(=O)c2ccccc2SCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C23H19Cl2N3O6S2/c24-14-9-15(25)11-17(10-14)28-22(30)13-35-20-4-2-1-3-19(20)23(31)34-12-21(29)27-16-5-7-18(8-6-16)36(26,32)33/h1-11H,12-13H2,(H,27,29)(H,28,30)(H2,26,32,33)
InChIKeyQJIZFRAITYYLRI-UHFFFAOYSA-N
MW568.46 g/mol
LogP4.17
Rot. Bonds9

About [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-[2-(3,5-dichloroanilino)-2-oxoethyl]sulfanylbenzoate

[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-[2-(3,5-dichloroanilino)-2-oxoethyl]sulfanylbenzoate (PubChem CID 4841505) has the molecular formula C23H19Cl2N3O6S2 and a molecular weight of 568.46 g/mol. Its IUPAC name is [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-[2-(3,5-dichloroanilino)-2-oxoethyl]sulfanylbenzoate.

Molecular Properties

Compound Name[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-[2-(3,5-dichloroanilino)-2-oxoethyl]sulfanylbenzoate
PubChem CID4841505
Molecular FormulaC23H19Cl2N3O6S2
Molecular Weight568.46 g/mol
Exact Mass567.01
IUPAC Name[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-[2-(3,5-dichloroanilino)-2-oxoethyl]sulfanylbenzoate
SMILESNS(=O)(=O)c1ccc(NC(=O)COC(=O)c2ccccc2SCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C23H19Cl2N3O6S2/c24-14-9-15(25)11-17(10-14)28-22(30)13-35-20-4-2-1-3-19(20)23(31)34-12-21(29)27-16-5-7-18(8-6-16)36(26,32)33/h1-11H,12-13H2,(H,27,29)(H,28,30)(H2,26,32,33)
InChIKeyQJIZFRAITYYLRI-UHFFFAOYSA-N
XLogP4.17
TPSA144.66 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500568.46
LogP ≤ 54.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-[2-(3,5-dichloroanilino)-2-oxoethyl]sulfanylbenzoate with MolForge

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Related Compounds

[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzoate
CID 55308510
(2-anilino-2-oxoethyl) 2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzoate
CID 42106297
2-(2-bromophenyl)sulfanyl-N-(4-sulfamoylphenyl)acetamide
CID 27087506
[2-(3-fluoroanilino)-2-oxoethyl] 2-[2-(3-fluoroanilino)-2-oxoethyl]sulfanylbenzoate
CID 29142837
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-[2-(5-chloro-2-methylanilino)-2-oxoethyl]sulfanylbenzoate
CID 2364961
[2-(3,4-difluoroanilino)-2-oxoethyl] 2-(2-amino-2-oxoethyl)sulfanylbenzoate
CID 27065853
[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzoate
CID 27968156
2-(8-chloronaphthalen-1-yl)sulfanyl-N-(4-sulfamoylphenyl)acetamide
CID 9314399
[2-(4-nitroanilino)-2-oxoethyl] 2-(2-amino-2-oxoethyl)sulfanylbenzoate
CID 27066025
[2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzoate
CID 9066622
2-[2-(4-chloroanilino)-2-oxoethyl]sulfanylbenzoate
CID 7301278
[2-(2,6-dimethylanilino)-2-oxoethyl] 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylbenzoate
CID 42114273

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-[2-(3,5-dichloroanilino)-2-oxoethyl]sulfanylbenzoate?
The IUPAC name of [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-[2-(3,5-dichloroanilino)-2-oxoethyl]sulfanylbenzoate (CID 4841505) is [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-[2-(3,5-dichloroanilino)-2-oxoethyl]sulfanylbenzoate.
What is the SMILES notation for [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-[2-(3,5-dichloroanilino)-2-oxoethyl]sulfanylbenzoate?
The canonical SMILES for [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-[2-(3,5-dichloroanilino)-2-oxoethyl]sulfanylbenzoate is NS(=O)(=O)c1ccc(NC(=O)COC(=O)c2ccccc2SCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1.
What is the InChIKey of [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-[2-(3,5-dichloroanilino)-2-oxoethyl]sulfanylbenzoate?
The InChIKey is QJIZFRAITYYLRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl2N3O6S2/c24-14-9-15(25)11-17(10-14)28-22(30)13-35-20-4-2-1-3-19(20)23(31)34-12-21(29)27-16-5-7-18(8-6-16)36(26,32)33/h1-11H,12-13H2,(H,27,29)(H,28,30)(H2,26,32,33).
What are the key properties of [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-[2-(3,5-dichloroanilino)-2-oxoethyl]sulfanylbenzoate?
[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-[2-(3,5-dichloroanilino)-2-oxoethyl]sulfanylbenzoate has a molecular weight of 568.46 g/mol, XLogP of 4.17, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-[2-(3,5-dichloroanilino)-2-oxoethyl]sulfanylbenzoate is sourced from PubChem (CID 4841505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).