cyclohexylmethyl 2-methoxy-5-sulfamoylbenzoate

C15H21NO5S — CID 7890703

IUPACcyclohexylmethyl 2-methoxy-5-sulfamoylbenzoate
SMILESCOc1ccc(S(N)(=O)=O)cc1C(=O)OCC1CCCCC1
InChIInChI=1S/C15H21NO5S/c1-20-14-8-7-12(22(16,18)19)9-13(14)15(17)21-10-11-5-3-2-4-6-11/h7-9,11H,2-6,10H2,1H3,(H2,16,18,19)
InChIKeyZZVYMAPPXTYDQW-UHFFFAOYSA-N
MW327.40 g/mol
LogP2.08
Rot. Bonds5

About cyclohexylmethyl 2-methoxy-5-sulfamoylbenzoate

cyclohexylmethyl 2-methoxy-5-sulfamoylbenzoate (PubChem CID 7890703) has the molecular formula C15H21NO5S and a molecular weight of 327.40 g/mol. Its IUPAC name is cyclohexylmethyl 2-methoxy-5-sulfamoylbenzoate.

Molecular Properties

Compound Namecyclohexylmethyl 2-methoxy-5-sulfamoylbenzoate
PubChem CID7890703
Molecular FormulaC15H21NO5S
Molecular Weight327.40 g/mol
Exact Mass327.11
IUPAC Namecyclohexylmethyl 2-methoxy-5-sulfamoylbenzoate
SMILESCOc1ccc(S(N)(=O)=O)cc1C(=O)OCC1CCCCC1
InChIInChI=1S/C15H21NO5S/c1-20-14-8-7-12(22(16,18)19)9-13(14)15(17)21-10-11-5-3-2-4-6-11/h7-9,11H,2-6,10H2,1H3,(H2,16,18,19)
InChIKeyZZVYMAPPXTYDQW-UHFFFAOYSA-N
XLogP2.08
TPSA95.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclohexylmethyl 2-methoxy-5-sulfamoylbenzoate?
The IUPAC name of cyclohexylmethyl 2-methoxy-5-sulfamoylbenzoate (CID 7890703) is cyclohexylmethyl 2-methoxy-5-sulfamoylbenzoate.
What is the SMILES notation for cyclohexylmethyl 2-methoxy-5-sulfamoylbenzoate?
The canonical SMILES for cyclohexylmethyl 2-methoxy-5-sulfamoylbenzoate is COc1ccc(S(N)(=O)=O)cc1C(=O)OCC1CCCCC1.
What is the InChIKey of cyclohexylmethyl 2-methoxy-5-sulfamoylbenzoate?
The InChIKey is ZZVYMAPPXTYDQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO5S/c1-20-14-8-7-12(22(16,18)19)9-13(14)15(17)21-10-11-5-3-2-4-6-11/h7-9,11H,2-6,10H2,1H3,(H2,16,18,19).
What are the key properties of cyclohexylmethyl 2-methoxy-5-sulfamoylbenzoate?
cyclohexylmethyl 2-methoxy-5-sulfamoylbenzoate has a molecular weight of 327.40 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylmethyl 2-methoxy-5-sulfamoylbenzoate is sourced from PubChem (CID 7890703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).