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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Related Compounds

Methyl 5-sulfamoyl-o-anisate
CID 118390
Methyl 5-(ethylsulphonyl)-o-anisate
CID 6454351
2-methoxy-5-(N-((tetrahydrofuran-2-yl)methyl)sulfamoyl)benzoic acid
CID 2891931
Methyl 5-mesyl-o-anisate
CID 6454622
2-Hexadecoxy-5-sulfobenzoic acid
CID 4460714
5-(Diethylsulfamoyl)-2-methoxybenzoic acid
CID 16463044
2-Ethoxy-5-(4-methyl-1-piperazinylsulfonyl)benzoic acid
CID 12134865
o-Anisic acid, 5-(fluorosulfonyl)-
CID 308458
5-{[(4-Carboxybutyl)amino]sulfonyl}-2-methoxybenzoic acid
CID 2355944
(5-Acetyl-2-methoxyphenyl)methyl 3-(methylsulfamoyl)benzoate
CID 2399985
5-(5-Carboxy-pentylsulfamoyl)-2-methoxy-benzoic acid
CID 2404298
(4-Oxo-4-phenylbutyl) 2-methoxy-5-sulfamoylbenzoate
CID 2450004

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).