[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 4-chloro-2-hydroxybenzoate

C19H19ClN2O6S — CID 71904864

IUPAC[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 4-chloro-2-hydroxybenzoate
SMILESO=C(COC(=O)c1ccc(Cl)cc1O)Nc1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C19H19ClN2O6S/c20-13-6-7-16(17(23)10-13)19(25)28-12-18(24)21-14-4-3-5-15(11-14)29(26,27)22-8-1-2-9-22/h3-7,10-11,23H,1-2,8-9,12H2,(H,21,24)
InChIKeyAYUBCSSHYNJSGV-UHFFFAOYSA-N
MW438.89 g/mol
LogP2.63
Rot. Bonds6

About [2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 4-chloro-2-hydroxybenzoate

[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 4-chloro-2-hydroxybenzoate (PubChem CID 71904864) has the molecular formula C19H19ClN2O6S and a molecular weight of 438.89 g/mol. Its IUPAC name is [2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 4-chloro-2-hydroxybenzoate.

Molecular Properties

Compound Name[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 4-chloro-2-hydroxybenzoate
PubChem CID71904864
Molecular FormulaC19H19ClN2O6S
Molecular Weight438.89 g/mol
Exact Mass438.07
IUPAC Name[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 4-chloro-2-hydroxybenzoate
SMILESO=C(COC(=O)c1ccc(Cl)cc1O)Nc1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C19H19ClN2O6S/c20-13-6-7-16(17(23)10-13)19(25)28-12-18(24)21-14-4-3-5-15(11-14)29(26,27)22-8-1-2-9-22/h3-7,10-11,23H,1-2,8-9,12H2,(H,21,24)
InChIKeyAYUBCSSHYNJSGV-UHFFFAOYSA-N
XLogP2.63
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.89
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 3,5-dichlorobenzoate
CID 16523259
2-(2,4-dichlorophenoxy)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 4798258
[2-oxo-2-(3-sulfamoylanilino)ethyl] 2,5-dichlorobenzoate
CID 7723007
[2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 2,5-dimethylfuran-3-carboxylate
CID 5051703
[2-[3-(azepan-1-ylsulfonyl)anilino]-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate
CID 4967233
[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl] 2-hydroxy-4-methylbenzoate
CID 2611743
[2-(2,5-dichloroanilino)-2-oxoethyl] 3-(azepan-1-ylsulfonyl)benzoate
CID 4802573
(2-anilino-2-oxoethyl) 3-(azepan-1-ylsulfonyl)benzoate
CID 2545206
[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-chloro-6-fluorobenzoate
CID 4837621
[2-oxo-2-(3-sulfamoylanilino)ethyl] 5-chloro-2-fluorobenzoate
CID 8620088
[2-(3-chloroanilino)-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate
CID 55313533
[2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl] 3-hydroxynaphthalene-2-carboxylate
CID 16540356

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 4-chloro-2-hydroxybenzoate?
The IUPAC name of [2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 4-chloro-2-hydroxybenzoate (CID 71904864) is [2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 4-chloro-2-hydroxybenzoate.
What is the SMILES notation for [2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 4-chloro-2-hydroxybenzoate?
The canonical SMILES for [2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 4-chloro-2-hydroxybenzoate is O=C(COC(=O)c1ccc(Cl)cc1O)Nc1cccc(S(=O)(=O)N2CCCC2)c1.
What is the InChIKey of [2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 4-chloro-2-hydroxybenzoate?
The InChIKey is AYUBCSSHYNJSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O6S/c20-13-6-7-16(17(23)10-13)19(25)28-12-18(24)21-14-4-3-5-15(11-14)29(26,27)22-8-1-2-9-22/h3-7,10-11,23H,1-2,8-9,12H2,(H,21,24).
What are the key properties of [2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 4-chloro-2-hydroxybenzoate?
[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 4-chloro-2-hydroxybenzoate has a molecular weight of 438.89 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 4-chloro-2-hydroxybenzoate is sourced from PubChem (CID 71904864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).