(3-methoxycyclohexyl) 3-sulfamoylbenzoate

C14H19NO5S — CID 65381914

IUPAC(3-methoxycyclohexyl) 3-sulfamoylbenzoate
SMILESCOC1CCCC(OC(=O)c2cccc(S(N)(=O)=O)c2)C1
InChIInChI=1S/C14H19NO5S/c1-19-11-5-3-6-12(9-11)20-14(16)10-4-2-7-13(8-10)21(15,17)18/h2,4,7-8,11-12H,3,5-6,9H2,1H3,(H2,15,17,18)
InChIKeySFSWRGMWTLLQNY-UHFFFAOYSA-N
MW313.37 g/mol
LogP1.45
Rot. Bonds4

About (3-methoxycyclohexyl) 3-sulfamoylbenzoate

(3-methoxycyclohexyl) 3-sulfamoylbenzoate (PubChem CID 65381914) has the molecular formula C14H19NO5S and a molecular weight of 313.37 g/mol. Its IUPAC name is (3-methoxycyclohexyl) 3-sulfamoylbenzoate.

Molecular Properties

Compound Name(3-methoxycyclohexyl) 3-sulfamoylbenzoate
PubChem CID65381914
Molecular FormulaC14H19NO5S
Molecular Weight313.37 g/mol
Exact Mass313.10
IUPAC Name(3-methoxycyclohexyl) 3-sulfamoylbenzoate
SMILESCOC1CCCC(OC(=O)c2cccc(S(N)(=O)=O)c2)C1
InChIInChI=1S/C14H19NO5S/c1-19-11-5-3-6-12(9-11)20-14(16)10-4-2-7-13(8-10)21(15,17)18/h2,4,7-8,11-12H,3,5-6,9H2,1H3,(H2,15,17,18)
InChIKeySFSWRGMWTLLQNY-UHFFFAOYSA-N
XLogP1.45
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 ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-methoxycyclohexyl) 3-sulfamoylbenzoate?
The IUPAC name of (3-methoxycyclohexyl) 3-sulfamoylbenzoate (CID 65381914) is (3-methoxycyclohexyl) 3-sulfamoylbenzoate.
What is the SMILES notation for (3-methoxycyclohexyl) 3-sulfamoylbenzoate?
The canonical SMILES for (3-methoxycyclohexyl) 3-sulfamoylbenzoate is COC1CCCC(OC(=O)c2cccc(S(N)(=O)=O)c2)C1.
What is the InChIKey of (3-methoxycyclohexyl) 3-sulfamoylbenzoate?
The InChIKey is SFSWRGMWTLLQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5S/c1-19-11-5-3-6-12(9-11)20-14(16)10-4-2-7-13(8-10)21(15,17)18/h2,4,7-8,11-12H,3,5-6,9H2,1H3,(H2,15,17,18).
What are the key properties of (3-methoxycyclohexyl) 3-sulfamoylbenzoate?
(3-methoxycyclohexyl) 3-sulfamoylbenzoate has a molecular weight of 313.37 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxycyclohexyl) 3-sulfamoylbenzoate is sourced from PubChem (CID 65381914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).