2-chloro-5-[(2-oxo-2-pyrrolidin-1-ylethyl)sulfamoyl]benzoic acid

C13H15ClN2O5S — CID 110712522

IUPAC2-chloro-5-[(2-oxo-2-pyrrolidin-1-ylethyl)sulfamoyl]benzoic acid
SMILESO=C(O)c1cc(S(=O)(=O)NCC(=O)N2CCCC2)ccc1Cl
InChIInChI=1S/C13H15ClN2O5S/c14-11-4-3-9(7-10(11)13(18)19)22(20,21)15-8-12(17)16-5-1-2-6-16/h3-4,7,15H,1-2,5-6,8H2,(H,18,19)
InChIKeyXLEGAXRXTGVUQX-UHFFFAOYSA-N
MW346.79 g/mol
LogP0.94
Rot. Bonds5

About 2-chloro-5-[(2-oxo-2-pyrrolidin-1-ylethyl)sulfamoyl]benzoic acid

2-chloro-5-[(2-oxo-2-pyrrolidin-1-ylethyl)sulfamoyl]benzoic acid (PubChem CID 110712522) has the molecular formula C13H15ClN2O5S and a molecular weight of 346.79 g/mol. Its IUPAC name is 2-chloro-5-[(2-oxo-2-pyrrolidin-1-ylethyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name2-chloro-5-[(2-oxo-2-pyrrolidin-1-ylethyl)sulfamoyl]benzoic acid
PubChem CID110712522
Molecular FormulaC13H15ClN2O5S
Molecular Weight346.79 g/mol
Exact Mass346.04
IUPAC Name2-chloro-5-[(2-oxo-2-pyrrolidin-1-ylethyl)sulfamoyl]benzoic acid
SMILESO=C(O)c1cc(S(=O)(=O)NCC(=O)N2CCCC2)ccc1Cl
InChIInChI=1S/C13H15ClN2O5S/c14-11-4-3-9(7-10(11)13(18)19)22(20,21)15-8-12(17)16-5-1-2-6-16/h3-4,7,15H,1-2,5-6,8H2,(H,18,19)
InChIKeyXLEGAXRXTGVUQX-UHFFFAOYSA-N
XLogP0.94
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.79
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-3-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 112990867
N-[2-(azepan-1-yl)-2-oxoethyl]-4-chlorobenzenesulfonamide
CID 112995974
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3,4-dichlorobenzenesulfonamide
CID 112991971
3,4-dichloro-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
CID 60894571
2-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-4-sulfonamide
CID 113405985
2-chloro-5-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid
CID 43214152
2-chloro-5-(2-methylprop-2-enylsulfamoyl)benzoic acid
CID 114615359
N-[2-(azepan-1-yl)-2-oxoethyl]-4-fluorobenzenesulfonamide
CID 894307
4-bromo-3-methyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
CID 39668245
2,3-dichloro-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
CID 39668267
2-chloro-5-(2-cyclopentylethylsulfamoyl)benzoic acid
CID 60734449
3-amino-4-methoxy-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 115597641

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(2-oxo-2-pyrrolidin-1-ylethyl)sulfamoyl]benzoic acid?
The IUPAC name of 2-chloro-5-[(2-oxo-2-pyrrolidin-1-ylethyl)sulfamoyl]benzoic acid (CID 110712522) is 2-chloro-5-[(2-oxo-2-pyrrolidin-1-ylethyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 2-chloro-5-[(2-oxo-2-pyrrolidin-1-ylethyl)sulfamoyl]benzoic acid?
The canonical SMILES for 2-chloro-5-[(2-oxo-2-pyrrolidin-1-ylethyl)sulfamoyl]benzoic acid is O=C(O)c1cc(S(=O)(=O)NCC(=O)N2CCCC2)ccc1Cl.
What is the InChIKey of 2-chloro-5-[(2-oxo-2-pyrrolidin-1-ylethyl)sulfamoyl]benzoic acid?
The InChIKey is XLEGAXRXTGVUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O5S/c14-11-4-3-9(7-10(11)13(18)19)22(20,21)15-8-12(17)16-5-1-2-6-16/h3-4,7,15H,1-2,5-6,8H2,(H,18,19).
What are the key properties of 2-chloro-5-[(2-oxo-2-pyrrolidin-1-ylethyl)sulfamoyl]benzoic acid?
2-chloro-5-[(2-oxo-2-pyrrolidin-1-ylethyl)sulfamoyl]benzoic acid has a molecular weight of 346.79 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(2-oxo-2-pyrrolidin-1-ylethyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 110712522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).