1-[3-(cyclopentylsulfamoyl)benzoyl]pyrrolidine-3-carboxylic acid

C17H22N2O5S — CID 119354621

IUPAC1-[3-(cyclopentylsulfamoyl)benzoyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)c2cccc(S(=O)(=O)NC3CCCC3)c2)C1
InChIInChI=1S/C17H22N2O5S/c20-16(19-9-8-13(11-19)17(21)22)12-4-3-7-15(10-12)25(23,24)18-14-5-1-2-6-14/h3-4,7,10,13-14,18H,1-2,5-6,8-9,11H2,(H,21,22)
InChIKeyBLKTURRFGJCPGA-UHFFFAOYSA-N
MW366.44 g/mol
LogP1.45
Rot. Bonds5

About 1-[3-(cyclopentylsulfamoyl)benzoyl]pyrrolidine-3-carboxylic acid

1-[3-(cyclopentylsulfamoyl)benzoyl]pyrrolidine-3-carboxylic acid (PubChem CID 119354621) has the molecular formula C17H22N2O5S and a molecular weight of 366.44 g/mol. Its IUPAC name is 1-[3-(cyclopentylsulfamoyl)benzoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[3-(cyclopentylsulfamoyl)benzoyl]pyrrolidine-3-carboxylic acid
PubChem CID119354621
Molecular FormulaC17H22N2O5S
Molecular Weight366.44 g/mol
Exact Mass366.12
IUPAC Name1-[3-(cyclopentylsulfamoyl)benzoyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)c2cccc(S(=O)(=O)NC3CCCC3)c2)C1
InChIInChI=1S/C17H22N2O5S/c20-16(19-9-8-13(11-19)17(21)22)12-4-3-7-15(10-12)25(23,24)18-14-5-1-2-6-14/h3-4,7,10,13-14,18H,1-2,5-6,8-9,11H2,(H,21,22)
InChIKeyBLKTURRFGJCPGA-UHFFFAOYSA-N
XLogP1.45
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(cyclopentylsulfamoyl)benzoyl]morpholine-2-carboxylic acid
CID 119239665
3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-cyclopentylbenzenesulfonamide;hydrochloride
CID 119409335
1-[3-(cyclopentylsulfamoyl)benzoyl]-N-phenylpiperidine-3-carboxamide
CID 46578445
1-[3-(benzylsulfamoyl)benzoyl]pyrrolidine-3-carboxylic acid
CID 119353982
N-cyclohexyl-3-(4-formylpiperazine-1-carbonyl)benzenesulfonamide
CID 109063352
N-cyclopentyl-3-[4-(3-fluorobenzoyl)piperazine-1-carbonyl]benzenesulfonamide
CID 30855365
N-cyclohexyl-3-(4-ethylpiperazine-1-carbonyl)benzenesulfonamide
CID 109063351
N-cyclopentyl-3-[3-(methylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride
CID 119394896
1-[3-(thiophen-2-ylmethylsulfamoyl)benzoyl]pyrrolidine-3-carboxylic acid
CID 119354635
3-[4-(aminomethyl)piperidine-1-carbonyl]-N-cyclopropylbenzenesulfonamide
CID 119423037
3-[2-(aminomethyl)piperidine-1-carbonyl]-N-cyclopropylbenzenesulfonamide
CID 119466674
3-(cyclohexylsulfamoyl)-N-cyclopentylbenzamide
CID 109063195

Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclopentylsulfamoyl)benzoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[3-(cyclopentylsulfamoyl)benzoyl]pyrrolidine-3-carboxylic acid (CID 119354621) is 1-[3-(cyclopentylsulfamoyl)benzoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[3-(cyclopentylsulfamoyl)benzoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[3-(cyclopentylsulfamoyl)benzoyl]pyrrolidine-3-carboxylic acid is O=C(O)C1CCN(C(=O)c2cccc(S(=O)(=O)NC3CCCC3)c2)C1.
What is the InChIKey of 1-[3-(cyclopentylsulfamoyl)benzoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is BLKTURRFGJCPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O5S/c20-16(19-9-8-13(11-19)17(21)22)12-4-3-7-15(10-12)25(23,24)18-14-5-1-2-6-14/h3-4,7,10,13-14,18H,1-2,5-6,8-9,11H2,(H,21,22).
What are the key properties of 1-[3-(cyclopentylsulfamoyl)benzoyl]pyrrolidine-3-carboxylic acid?
1-[3-(cyclopentylsulfamoyl)benzoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 366.44 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclopentylsulfamoyl)benzoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 119354621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).