cyclopentyl 2-chloro-5-sulfamoylbenzoate

C12H14ClNO4S — CID 65381040

IUPACcyclopentyl 2-chloro-5-sulfamoylbenzoate
SMILESNS(=O)(=O)c1ccc(Cl)c(C(=O)OC2CCCC2)c1
InChIInChI=1S/C12H14ClNO4S/c13-11-6-5-9(19(14,16)17)7-10(11)12(15)18-8-3-1-2-4-8/h5-8H,1-4H2,(H2,14,16,17)
InChIKeyREMZCCMUIJUSKY-UHFFFAOYSA-N
MW303.77 g/mol
LogP2.09
Rot. Bonds3

About cyclopentyl 2-chloro-5-sulfamoylbenzoate

cyclopentyl 2-chloro-5-sulfamoylbenzoate (PubChem CID 65381040) has the molecular formula C12H14ClNO4S and a molecular weight of 303.77 g/mol. Its IUPAC name is cyclopentyl 2-chloro-5-sulfamoylbenzoate.

Molecular Properties

Compound Namecyclopentyl 2-chloro-5-sulfamoylbenzoate
PubChem CID65381040
Molecular FormulaC12H14ClNO4S
Molecular Weight303.77 g/mol
Exact Mass303.03
IUPAC Namecyclopentyl 2-chloro-5-sulfamoylbenzoate
SMILESNS(=O)(=O)c1ccc(Cl)c(C(=O)OC2CCCC2)c1
InChIInChI=1S/C12H14ClNO4S/c13-11-6-5-9(19(14,16)17)7-10(11)12(15)18-8-3-1-2-4-8/h5-8H,1-4H2,(H2,14,16,17)
InChIKeyREMZCCMUIJUSKY-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

cyclopentyl 4-chloro-3-sulfamoylbenzoate
CID 65379832
oxan-4-yl 2-chloro-5-chlorosulfonylbenzoate
CID 65374517
oxan-4-yl 2-bromo-5-sulfamoylbenzoate
CID 65382092
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-chloro-5-sulfamoylbenzoate
CID 7993938
[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-chloro-5-sulfamoylbenzoate
CID 42902648
[2-(cyclohexylmethylamino)-2-oxoethyl] 2-chloro-5-sulfamoylbenzoate
CID 7994086
oxan-4-yl 2-methyl-5-sulfamoylbenzoate
CID 65382296
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-chloro-5-sulfamoylbenzoate
CID 7994131
4-chloro-3-(2-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 65376127
(1-amino-1-oxopropan-2-yl) 2-chloro-5-sulfamoylbenzoate
CID 22108582
sodium;2-chloro-5-sulfamoylbenzoic acid;hydride
CID 174663116
dicyclohexyl 2,5-dihydroxybenzene-1,4-dicarboxylate
CID 14121494

Frequently Asked Questions

What is the IUPAC name of cyclopentyl 2-chloro-5-sulfamoylbenzoate?
The IUPAC name of cyclopentyl 2-chloro-5-sulfamoylbenzoate (CID 65381040) is cyclopentyl 2-chloro-5-sulfamoylbenzoate.
What is the SMILES notation for cyclopentyl 2-chloro-5-sulfamoylbenzoate?
The canonical SMILES for cyclopentyl 2-chloro-5-sulfamoylbenzoate is NS(=O)(=O)c1ccc(Cl)c(C(=O)OC2CCCC2)c1.
What is the InChIKey of cyclopentyl 2-chloro-5-sulfamoylbenzoate?
The InChIKey is REMZCCMUIJUSKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO4S/c13-11-6-5-9(19(14,16)17)7-10(11)12(15)18-8-3-1-2-4-8/h5-8H,1-4H2,(H2,14,16,17).
What are the key properties of cyclopentyl 2-chloro-5-sulfamoylbenzoate?
cyclopentyl 2-chloro-5-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 2-chloro-5-sulfamoylbenzoate is sourced from PubChem (CID 65381040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).