cyclooctyl 4-sulfamoyloxybenzoate

C15H21NO5S — CID 10065009

IUPACcyclooctyl 4-sulfamoyloxybenzoate
SMILESNS(=O)(=O)Oc1ccc(C(=O)OC2CCCCCCC2)cc1
InChIInChI=1S/C15H21NO5S/c16-22(18,19)21-14-10-8-12(9-11-14)15(17)20-13-6-4-2-1-3-5-7-13/h8-11,13H,1-7H2,(H2,16,18,19)
InChIKeyAGVIMIWKQHZOFR-UHFFFAOYSA-N
MW327.40 g/mol
LogP2.54
Rot. Bonds4

About cyclooctyl 4-sulfamoyloxybenzoate

cyclooctyl 4-sulfamoyloxybenzoate (PubChem CID 10065009) has the molecular formula C15H21NO5S and a molecular weight of 327.40 g/mol. Its IUPAC name is cyclooctyl 4-sulfamoyloxybenzoate.

Molecular Properties

Compound Namecyclooctyl 4-sulfamoyloxybenzoate
PubChem CID10065009
Molecular FormulaC15H21NO5S
Molecular Weight327.40 g/mol
Exact Mass327.11
IUPAC Namecyclooctyl 4-sulfamoyloxybenzoate
SMILESNS(=O)(=O)Oc1ccc(C(=O)OC2CCCCCCC2)cc1
InChIInChI=1S/C15H21NO5S/c16-22(18,19)21-14-10-8-12(9-11-14)15(17)20-13-6-4-2-1-3-5-7-13/h8-11,13H,1-7H2,(H2,16,18,19)
InChIKeyAGVIMIWKQHZOFR-UHFFFAOYSA-N
XLogP2.54
TPSA95.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclooctyl 4-sulfamoyloxybenzoate?
The IUPAC name of cyclooctyl 4-sulfamoyloxybenzoate (CID 10065009) is cyclooctyl 4-sulfamoyloxybenzoate.
What is the SMILES notation for cyclooctyl 4-sulfamoyloxybenzoate?
The canonical SMILES for cyclooctyl 4-sulfamoyloxybenzoate is NS(=O)(=O)Oc1ccc(C(=O)OC2CCCCCCC2)cc1.
What is the InChIKey of cyclooctyl 4-sulfamoyloxybenzoate?
The InChIKey is AGVIMIWKQHZOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO5S/c16-22(18,19)21-14-10-8-12(9-11-14)15(17)20-13-6-4-2-1-3-5-7-13/h8-11,13H,1-7H2,(H2,16,18,19).
What are the key properties of cyclooctyl 4-sulfamoyloxybenzoate?
cyclooctyl 4-sulfamoyloxybenzoate has a molecular weight of 327.40 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclooctyl 4-sulfamoyloxybenzoate is sourced from PubChem (CID 10065009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).