methyl 2-[(2-methylcyclohexyl)sulfamoyl]benzoate

C15H21NO4S — CID 103600987

IUPACmethyl 2-[(2-methylcyclohexyl)sulfamoyl]benzoate
SMILESCOC(=O)c1ccccc1S(=O)(=O)NC1CCCCC1C
InChIInChI=1S/C15H21NO4S/c1-11-7-3-5-9-13(11)16-21(18,19)14-10-6-4-8-12(14)15(17)20-2/h4,6,8,10-11,13,16H,3,5,7,9H2,1-2H3
InChIKeySHVJONNVSPEFBL-UHFFFAOYSA-N
MW311.40 g/mol
LogP2.33
Rot. Bonds4

About methyl 2-[(2-methylcyclohexyl)sulfamoyl]benzoate

methyl 2-[(2-methylcyclohexyl)sulfamoyl]benzoate (PubChem CID 103600987) has the molecular formula C15H21NO4S and a molecular weight of 311.40 g/mol. Its IUPAC name is methyl 2-[(2-methylcyclohexyl)sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[(2-methylcyclohexyl)sulfamoyl]benzoate
PubChem CID103600987
Molecular FormulaC15H21NO4S
Molecular Weight311.40 g/mol
Exact Mass311.12
IUPAC Namemethyl 2-[(2-methylcyclohexyl)sulfamoyl]benzoate
SMILESCOC(=O)c1ccccc1S(=O)(=O)NC1CCCCC1C
InChIInChI=1S/C15H21NO4S/c1-11-7-3-5-9-13(11)16-21(18,19)14-10-6-4-8-12(14)15(17)20-2/h4,6,8,10-11,13,16H,3,5,7,9H2,1-2H3
InChIKeySHVJONNVSPEFBL-UHFFFAOYSA-N
XLogP2.33
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(2-methylsulfanylcyclopentyl)sulfamoyl]benzoate
CID 103836287
methyl 2-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]benzoate
CID 103836080
methyl 2-(cyclopentyloxysulfamoyl)benzoate
CID 83229069
methyl 2-[[(1S)-1-cyclopentylethyl]sulfamoyl]benzoate
CID 102920549
methyl 2-[[(1R)-1-cyclopentylethyl]sulfamoyl]benzoate
CID 102920550
2-cyano-N-(2-methylcyclohexyl)benzenesulfonamide
CID 43176222
methyl 2-[(2-methyloxan-4-yl)sulfamoyl]benzoate
CID 103887621
methyl 2-(piperidin-3-ylsulfamoyl)benzoate;hydrochloride
CID 119964550
methyl 2-methyl-3-[(3-methylpiperidin-4-yl)sulfamoyl]benzoate;hydrochloride
CID 120724941
methyl 2-[(2-methylcyclopentyl)amino]benzoate
CID 65046829
methyl 2-[(2-methylcyclohexyl)amino]pyridine-3-carboxylate
CID 60722333
methyl 2-[(2-methyl-16-oxo-oxacyclohexadec-5-yl)sulfamoyl]benzoate
CID 25023446

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methylcyclohexyl)sulfamoyl]benzoate?
The IUPAC name of methyl 2-[(2-methylcyclohexyl)sulfamoyl]benzoate (CID 103600987) is methyl 2-[(2-methylcyclohexyl)sulfamoyl]benzoate.
What is the SMILES notation for methyl 2-[(2-methylcyclohexyl)sulfamoyl]benzoate?
The canonical SMILES for methyl 2-[(2-methylcyclohexyl)sulfamoyl]benzoate is COC(=O)c1ccccc1S(=O)(=O)NC1CCCCC1C.
What is the InChIKey of methyl 2-[(2-methylcyclohexyl)sulfamoyl]benzoate?
The InChIKey is SHVJONNVSPEFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4S/c1-11-7-3-5-9-13(11)16-21(18,19)14-10-6-4-8-12(14)15(17)20-2/h4,6,8,10-11,13,16H,3,5,7,9H2,1-2H3.
What are the key properties of methyl 2-[(2-methylcyclohexyl)sulfamoyl]benzoate?
methyl 2-[(2-methylcyclohexyl)sulfamoyl]benzoate has a molecular weight of 311.40 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methylcyclohexyl)sulfamoyl]benzoate is sourced from PubChem (CID 103600987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).