cycloheptyl 4-sulfamoyloxybenzoate

C14H19NO5S — CID 10018465

IUPACcycloheptyl 4-sulfamoyloxybenzoate
SMILESNS(=O)(=O)Oc1ccc(C(=O)OC2CCCCCC2)cc1
InChIInChI=1S/C14H19NO5S/c15-21(17,18)20-13-9-7-11(8-10-13)14(16)19-12-5-3-1-2-4-6-12/h7-10,12H,1-6H2,(H2,15,17,18)
InChIKeyZJGRMZILHPHGTJ-UHFFFAOYSA-N
MW313.37 g/mol
LogP2.15
Rot. Bonds4

About cycloheptyl 4-sulfamoyloxybenzoate

cycloheptyl 4-sulfamoyloxybenzoate (PubChem CID 10018465) has the molecular formula C14H19NO5S and a molecular weight of 313.37 g/mol. Its IUPAC name is cycloheptyl 4-sulfamoyloxybenzoate.

Molecular Properties

Compound Namecycloheptyl 4-sulfamoyloxybenzoate
PubChem CID10018465
Molecular FormulaC14H19NO5S
Molecular Weight313.37 g/mol
Exact Mass313.10
IUPAC Namecycloheptyl 4-sulfamoyloxybenzoate
SMILESNS(=O)(=O)Oc1ccc(C(=O)OC2CCCCCC2)cc1
InChIInChI=1S/C14H19NO5S/c15-21(17,18)20-13-9-7-11(8-10-13)14(16)19-12-5-3-1-2-4-6-12/h7-10,12H,1-6H2,(H2,15,17,18)
InChIKeyZJGRMZILHPHGTJ-UHFFFAOYSA-N
XLogP2.15
TPSA95.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze cycloheptyl 4-sulfamoyloxybenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cycloheptyl 4-sulfamoyloxybenzoate?
The IUPAC name of cycloheptyl 4-sulfamoyloxybenzoate (CID 10018465) is cycloheptyl 4-sulfamoyloxybenzoate.
What is the SMILES notation for cycloheptyl 4-sulfamoyloxybenzoate?
The canonical SMILES for cycloheptyl 4-sulfamoyloxybenzoate is NS(=O)(=O)Oc1ccc(C(=O)OC2CCCCCC2)cc1.
What is the InChIKey of cycloheptyl 4-sulfamoyloxybenzoate?
The InChIKey is ZJGRMZILHPHGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5S/c15-21(17,18)20-13-9-7-11(8-10-13)14(16)19-12-5-3-1-2-4-6-12/h7-10,12H,1-6H2,(H2,15,17,18).
What are the key properties of cycloheptyl 4-sulfamoyloxybenzoate?
cycloheptyl 4-sulfamoyloxybenzoate has a molecular weight of 313.37 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptyl 4-sulfamoyloxybenzoate is sourced from PubChem (CID 10018465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).