[2-(cyclopentylamino)-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate

C14H17ClN2O5S — CID 2565326

IUPAC[2-(cyclopentylamino)-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate
SMILESNS(=O)(=O)c1cc(C(=O)OCC(=O)NC2CCCC2)ccc1Cl
InChIInChI=1S/C14H17ClN2O5S/c15-11-6-5-9(7-12(11)23(16,20)21)14(19)22-8-13(18)17-10-3-1-2-4-10/h5-7,10H,1-4,8H2,(H,17,18)(H2,16,20,21)
InChIKeyAODLZELTIMUKSO-UHFFFAOYSA-N
MW360.82 g/mol
LogP1.20
Rot. Bonds5

About [2-(cyclopentylamino)-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate

[2-(cyclopentylamino)-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate (PubChem CID 2565326) has the molecular formula C14H17ClN2O5S and a molecular weight of 360.82 g/mol. Its IUPAC name is [2-(cyclopentylamino)-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate.

Molecular Properties

Compound Name[2-(cyclopentylamino)-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate
PubChem CID2565326
Molecular FormulaC14H17ClN2O5S
Molecular Weight360.82 g/mol
Exact Mass360.05
IUPAC Name[2-(cyclopentylamino)-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate
SMILESNS(=O)(=O)c1cc(C(=O)OCC(=O)NC2CCCC2)ccc1Cl
InChIInChI=1S/C14H17ClN2O5S/c15-11-6-5-9(7-12(11)23(16,20)21)14(19)22-8-13(18)17-10-3-1-2-4-10/h5-7,10H,1-4,8H2,(H,17,18)(H2,16,20,21)
InChIKeyAODLZELTIMUKSO-UHFFFAOYSA-N
XLogP1.20
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.82
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(cyclopentylamino)-2-oxoethyl] 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate
CID 2999971
[2-(cycloheptylamino)-2-oxoethyl] 3,4-dichlorobenzoate
CID 2430435
[2-(cyclohexylamino)-2-oxoethyl] 4-chloro-3-(diethylsulfamoyl)benzoate
CID 2510844
[2-(cyclohexylamino)-2-oxoethyl] 3-(benzylsulfamoyl)-4-chlorobenzoate
CID 2599580
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 4-chloro-3-piperidin-1-ylsulfonylbenzoate
CID 42970356
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate
CID 3601244
[2-(cyclopropylamino)-2-oxoethyl] 4-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate
CID 23912249
cyclopentyl 4-chloro-3-sulfamoylbenzoate
CID 65379832
[2-(cycloheptylamino)-2-oxoethyl] 3-chlorobenzoate
CID 2121282
[2-(cycloheptylamino)-2-oxoethyl] 2,5-dichlorobenzoate
CID 4803859
methyl 2-[[2-(4-chloro-3-sulfamoylbenzoyl)oxyacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 16537933
[2-(cyclopentylamino)-2-oxoethyl] 5-sulfamoylthiophene-3-carboxylate
CID 27936183

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate?
The IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate (CID 2565326) is [2-(cyclopentylamino)-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate.
What is the SMILES notation for [2-(cyclopentylamino)-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate?
The canonical SMILES for [2-(cyclopentylamino)-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate is NS(=O)(=O)c1cc(C(=O)OCC(=O)NC2CCCC2)ccc1Cl.
What is the InChIKey of [2-(cyclopentylamino)-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate?
The InChIKey is AODLZELTIMUKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O5S/c15-11-6-5-9(7-12(11)23(16,20)21)14(19)22-8-13(18)17-10-3-1-2-4-10/h5-7,10H,1-4,8H2,(H,17,18)(H2,16,20,21).
What are the key properties of [2-(cyclopentylamino)-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate?
[2-(cyclopentylamino)-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate has a molecular weight of 360.82 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopentylamino)-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate is sourced from PubChem (CID 2565326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).