cyclopentyl 4-chloro-3-sulfamoylbenzoate

C12H14ClNO4S — CID 65379832

IUPACcyclopentyl 4-chloro-3-sulfamoylbenzoate
SMILESNS(=O)(=O)c1cc(C(=O)OC2CCCC2)ccc1Cl
InChIInChI=1S/C12H14ClNO4S/c13-10-6-5-8(7-11(10)19(14,16)17)12(15)18-9-3-1-2-4-9/h5-7,9H,1-4H2,(H2,14,16,17)
InChIKeyOFUDVUJFKCXFLS-UHFFFAOYSA-N
MW303.77 g/mol
LogP2.09
Rot. Bonds3

About cyclopentyl 4-chloro-3-sulfamoylbenzoate

cyclopentyl 4-chloro-3-sulfamoylbenzoate (PubChem CID 65379832) has the molecular formula C12H14ClNO4S and a molecular weight of 303.77 g/mol. Its IUPAC name is cyclopentyl 4-chloro-3-sulfamoylbenzoate.

Molecular Properties

Compound Namecyclopentyl 4-chloro-3-sulfamoylbenzoate
PubChem CID65379832
Molecular FormulaC12H14ClNO4S
Molecular Weight303.77 g/mol
Exact Mass303.03
IUPAC Namecyclopentyl 4-chloro-3-sulfamoylbenzoate
SMILESNS(=O)(=O)c1cc(C(=O)OC2CCCC2)ccc1Cl
InChIInChI=1S/C12H14ClNO4S/c13-10-6-5-8(7-11(10)19(14,16)17)12(15)18-9-3-1-2-4-9/h5-7,9H,1-4H2,(H2,14,16,17)
InChIKeyOFUDVUJFKCXFLS-UHFFFAOYSA-N
XLogP2.09
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.77
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cyclohexyl 4-bromo-3-sulfamoylbenzoate
CID 65381840
(2-methylcyclohexyl) 4-chloro-3-sulfamoylbenzoate
CID 65379844
cyclohexyl 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate
CID 8764324
[2-(cyclopentylamino)-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate
CID 2565326
cyclopentyl 2-chloro-5-sulfamoylbenzoate
CID 65381040
[(2S)-oxolan-2-yl]methyl 4-chloro-3-sulfamoylbenzoate
CID 39902965
ethyl 4-chloro-3-sulfamoylbenzoate
CID 15938945
cyclopentyl 3-chlorosulfonyl-4-ethylbenzoate
CID 65397532
propan-2-yl 4-chloro-3-sulfamoylbenzoate
CID 46638407
CID 87698819
CID 87698819
cyclobutyl 3-chlorosulfonyl-4-fluorobenzoate
CID 65373953
cyclohexyl 3-fluoro-4-methyl-5-sulfamoylbenzoate
CID 65381640

Frequently Asked Questions

What is the IUPAC name of cyclopentyl 4-chloro-3-sulfamoylbenzoate?
The IUPAC name of cyclopentyl 4-chloro-3-sulfamoylbenzoate (CID 65379832) is cyclopentyl 4-chloro-3-sulfamoylbenzoate.
What is the SMILES notation for cyclopentyl 4-chloro-3-sulfamoylbenzoate?
The canonical SMILES for cyclopentyl 4-chloro-3-sulfamoylbenzoate is NS(=O)(=O)c1cc(C(=O)OC2CCCC2)ccc1Cl.
What is the InChIKey of cyclopentyl 4-chloro-3-sulfamoylbenzoate?
The InChIKey is OFUDVUJFKCXFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO4S/c13-10-6-5-8(7-11(10)19(14,16)17)12(15)18-9-3-1-2-4-9/h5-7,9H,1-4H2,(H2,14,16,17).
What are the key properties of cyclopentyl 4-chloro-3-sulfamoylbenzoate?
cyclopentyl 4-chloro-3-sulfamoylbenzoate has a molecular weight of 303.77 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 4-chloro-3-sulfamoylbenzoate is sourced from PubChem (CID 65379832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).