[2-(2,4-difluoroanilino)-2-oxoethyl] 2-hydroxy-5-pyrrolidin-1-ylsulfonylbenzoate

C19H18F2N2O6S — CID 2123466

IUPAC[2-(2,4-difluoroanilino)-2-oxoethyl] 2-hydroxy-5-pyrrolidin-1-ylsulfonylbenzoate
SMILESO=C(COC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1O)Nc1ccc(F)cc1F
InChIInChI=1S/C19H18F2N2O6S/c20-12-3-5-16(15(21)9-12)22-18(25)11-29-19(26)14-10-13(4-6-17(14)24)30(27,28)23-7-1-2-8-23/h3-6,9-10,24H,1-2,7-8,11H2,(H,22,25)
InChIKeyLPVIQKILKNVUGM-UHFFFAOYSA-N
MW440.42 g/mol
LogP2.25
Rot. Bonds6

About [2-(2,4-difluoroanilino)-2-oxoethyl] 2-hydroxy-5-pyrrolidin-1-ylsulfonylbenzoate

[2-(2,4-difluoroanilino)-2-oxoethyl] 2-hydroxy-5-pyrrolidin-1-ylsulfonylbenzoate (PubChem CID 2123466) has the molecular formula C19H18F2N2O6S and a molecular weight of 440.42 g/mol. Its IUPAC name is [2-(2,4-difluoroanilino)-2-oxoethyl] 2-hydroxy-5-pyrrolidin-1-ylsulfonylbenzoate.

Molecular Properties

Compound Name[2-(2,4-difluoroanilino)-2-oxoethyl] 2-hydroxy-5-pyrrolidin-1-ylsulfonylbenzoate
PubChem CID2123466
Molecular FormulaC19H18F2N2O6S
Molecular Weight440.42 g/mol
Exact Mass440.09
IUPAC Name[2-(2,4-difluoroanilino)-2-oxoethyl] 2-hydroxy-5-pyrrolidin-1-ylsulfonylbenzoate
SMILESO=C(COC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1O)Nc1ccc(F)cc1F
InChIInChI=1S/C19H18F2N2O6S/c20-12-3-5-16(15(21)9-12)22-18(25)11-29-19(26)14-10-13(4-6-17(14)24)30(27,28)23-7-1-2-8-23/h3-6,9-10,24H,1-2,7-8,11H2,(H,22,25)
InChIKeyLPVIQKILKNVUGM-UHFFFAOYSA-N
XLogP2.25
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.42
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-(2,4-difluoroanilino)-2-oxoethyl] 2-hydroxy-5-pyrrolidin-1-ylsulfonylbenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-Oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-hydroxy-5-(thiophen-2-ylsulfonylamino)benzoate
CID 2381830
[2-[2-(Difluoromethoxy)anilino]-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate
CID 2399399
[2-(2,6-Dimethylmorpholin-4-yl)-2-oxoethyl] 2-hydroxy-5-[(4-methoxyphenyl)sulfamoyl]benzoate
CID 2999240
[2-(4-Morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-hydroxy-5-pyrrolidin-1-ylsulfonylbenzoate
CID 3970101
[2-(2-Chloro-5-pyrrolidin-1-ylsulfonylanilino)-2-oxoethyl] 2-hydroxy-5-morpholin-4-ylsulfonylbenzoate
CID 4690074
[2-[4-(Diethylsulfamoyl)anilino]-2-oxoethyl] 2-hydroxy-5-[(4-methoxyphenyl)sulfamoyl]benzoate
CID 4830648
[2-(2-Methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]benzoate
CID 4883364
4-{2-[2-Methyl-4-(pyrrolidine-1-sulfonyl)-phenoxy]-acetylamino}-benzamide
CID 6490706
[2-Oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 2-hydroxybenzoate
CID 7798198
2-Hydroxy-5-[[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]sulfamoyl]benzoic acid
CID 16252238
[1-Oxo-1-(4-pyrrolidin-1-ylsulfonylanilino)propan-2-yl] 2-ethoxybenzoate
CID 16252403
[2-Oxo-2-(2,3,4-trifluoroanilino)ethyl] 5-[(2-chlorophenyl)sulfamoyl]-2-hydroxybenzoate
CID 2358300

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-difluoroanilino)-2-oxoethyl] 2-hydroxy-5-pyrrolidin-1-ylsulfonylbenzoate?
The IUPAC name of [2-(2,4-difluoroanilino)-2-oxoethyl] 2-hydroxy-5-pyrrolidin-1-ylsulfonylbenzoate (CID 2123466) is [2-(2,4-difluoroanilino)-2-oxoethyl] 2-hydroxy-5-pyrrolidin-1-ylsulfonylbenzoate.
What is the SMILES notation for [2-(2,4-difluoroanilino)-2-oxoethyl] 2-hydroxy-5-pyrrolidin-1-ylsulfonylbenzoate?
The canonical SMILES for [2-(2,4-difluoroanilino)-2-oxoethyl] 2-hydroxy-5-pyrrolidin-1-ylsulfonylbenzoate is O=C(COC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1O)Nc1ccc(F)cc1F.
What is the InChIKey of [2-(2,4-difluoroanilino)-2-oxoethyl] 2-hydroxy-5-pyrrolidin-1-ylsulfonylbenzoate?
The InChIKey is LPVIQKILKNVUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N2O6S/c20-12-3-5-16(15(21)9-12)22-18(25)11-29-19(26)14-10-13(4-6-17(14)24)30(27,28)23-7-1-2-8-23/h3-6,9-10,24H,1-2,7-8,11H2,(H,22,25).
What are the key properties of [2-(2,4-difluoroanilino)-2-oxoethyl] 2-hydroxy-5-pyrrolidin-1-ylsulfonylbenzoate?
[2-(2,4-difluoroanilino)-2-oxoethyl] 2-hydroxy-5-pyrrolidin-1-ylsulfonylbenzoate has a molecular weight of 440.42 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-difluoroanilino)-2-oxoethyl] 2-hydroxy-5-pyrrolidin-1-ylsulfonylbenzoate is sourced from PubChem (CID 2123466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).