(2-sulfamoyl-1,3-benzothiazol-6-yl) 2-cyclopentylacetate

C14H16N2O4S2 — CID 13236655

IUPAC(2-sulfamoyl-1,3-benzothiazol-6-yl) 2-cyclopentylacetate
SMILESNS(=O)(=O)c1nc2ccc(OC(=O)CC3CCCC3)cc2s1
InChIInChI=1S/C14H16N2O4S2/c15-22(18,19)14-16-11-6-5-10(8-12(11)21-14)20-13(17)7-9-3-1-2-4-9/h5-6,8-9H,1-4,7H2,(H2,15,18,19)
InChIKeyWCKYZNICTPBPFV-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.43
Rot. Bonds4

About (2-sulfamoyl-1,3-benzothiazol-6-yl) 2-cyclopentylacetate

(2-sulfamoyl-1,3-benzothiazol-6-yl) 2-cyclopentylacetate (PubChem CID 13236655) has the molecular formula C14H16N2O4S2 and a molecular weight of 340.43 g/mol. Its IUPAC name is (2-sulfamoyl-1,3-benzothiazol-6-yl) 2-cyclopentylacetate.

Molecular Properties

Compound Name(2-sulfamoyl-1,3-benzothiazol-6-yl) 2-cyclopentylacetate
PubChem CID13236655
Molecular FormulaC14H16N2O4S2
Molecular Weight340.43 g/mol
Exact Mass340.06
IUPAC Name(2-sulfamoyl-1,3-benzothiazol-6-yl) 2-cyclopentylacetate
SMILESNS(=O)(=O)c1nc2ccc(OC(=O)CC3CCCC3)cc2s1
InChIInChI=1S/C14H16N2O4S2/c15-22(18,19)14-16-11-6-5-10(8-12(11)21-14)20-13(17)7-9-3-1-2-4-9/h5-6,8-9H,1-4,7H2,(H2,15,18,19)
InChIKeyWCKYZNICTPBPFV-UHFFFAOYSA-N
XLogP2.43
TPSA99.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

Ethoxzolamide
CID 3295
6-(Benzyloxy)-1,3-benzothiazole-2-sulfonamide
CID 23275795
2,3,4,5,6-Pentafluoro-benzoic acid 2-(2-sulfamoyl-benzothiazol-6-yloxy)-ethyl ester
CID 10576231
2,3,4,5,6-Pentafluoro-benzoic acid 2-sulfamoyl-benzothiazol-6-yl ester
CID 10693598
Trifluoro-methanesulfonic acid 2-(2-sulfamoyl-benzothiazol-6-yloxy)-ethyl ester
CID 10763843
[(2-{[2-(Bis-carboxymethyl-amino)-ethyl]-carboxymethyl-amino}-ethyl)-(2-sulfamoyl-benzothiazol-6-yloxycarbonylmethyl)-amino]-acetic acid
CID 11039314
(R)-4-((8S,10S,12S,14R,15R,17S)-10,13-Dimethyl-3,7,12-trioxo-hexadecahydro-cyclopenta[a]phenanthren-17-yl)-pentanoic acid 2-sulfamoyl-benzothiazol-6-yl ester
CID 76311373
(R)-4-((8S,10S,12S,14R,15R,17S)-10,13-Dimethyl-3,7,12-trioxo-hexadecahydro-cyclopenta[a]phenanthren-17-yl)-pentanoic acid 2-(2-sulfamoyl-benzothiazol-6-yloxy)-ethyl ester
CID 76311410
Benzoic acid 2-methyl-benzothiazol-6-yl ester
CID 836197
6-Hydroxyethoxzolamide
CID 94706
L 645151
CID 135214
2-Sulfamoyl-1,3-benzothiazol-6-yl butanoate
CID 13236651

Frequently Asked Questions

What is the IUPAC name of (2-sulfamoyl-1,3-benzothiazol-6-yl) 2-cyclopentylacetate?
The IUPAC name of (2-sulfamoyl-1,3-benzothiazol-6-yl) 2-cyclopentylacetate (CID 13236655) is (2-sulfamoyl-1,3-benzothiazol-6-yl) 2-cyclopentylacetate.
What is the SMILES notation for (2-sulfamoyl-1,3-benzothiazol-6-yl) 2-cyclopentylacetate?
The canonical SMILES for (2-sulfamoyl-1,3-benzothiazol-6-yl) 2-cyclopentylacetate is NS(=O)(=O)c1nc2ccc(OC(=O)CC3CCCC3)cc2s1.
What is the InChIKey of (2-sulfamoyl-1,3-benzothiazol-6-yl) 2-cyclopentylacetate?
The InChIKey is WCKYZNICTPBPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S2/c15-22(18,19)14-16-11-6-5-10(8-12(11)21-14)20-13(17)7-9-3-1-2-4-9/h5-6,8-9H,1-4,7H2,(H2,15,18,19).
What are the key properties of (2-sulfamoyl-1,3-benzothiazol-6-yl) 2-cyclopentylacetate?
(2-sulfamoyl-1,3-benzothiazol-6-yl) 2-cyclopentylacetate has a molecular weight of 340.43 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-sulfamoyl-1,3-benzothiazol-6-yl) 2-cyclopentylacetate is sourced from PubChem (CID 13236655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).