methyl 2-[cyclohexylsulfonyl(methyl)amino]benzoate

C15H21NO4S — CID 61060789

IUPACmethyl 2-[cyclohexylsulfonyl(methyl)amino]benzoate
SMILESCOC(=O)c1ccccc1N(C)S(=O)(=O)C1CCCCC1
InChIInChI=1S/C15H21NO4S/c1-16(21(18,19)12-8-4-3-5-9-12)14-11-7-6-10-13(14)15(17)20-2/h6-7,10-12H,3-5,8-9H2,1-2H3
InChIKeyQMCDFBHHTPIKEC-UHFFFAOYSA-N
MW311.40 g/mol
LogP2.57
Rot. Bonds4

About methyl 2-[cyclohexylsulfonyl(methyl)amino]benzoate

methyl 2-[cyclohexylsulfonyl(methyl)amino]benzoate (PubChem CID 61060789) has the molecular formula C15H21NO4S and a molecular weight of 311.40 g/mol. Its IUPAC name is methyl 2-[cyclohexylsulfonyl(methyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[cyclohexylsulfonyl(methyl)amino]benzoate
PubChem CID61060789
Molecular FormulaC15H21NO4S
Molecular Weight311.40 g/mol
Exact Mass311.12
IUPAC Namemethyl 2-[cyclohexylsulfonyl(methyl)amino]benzoate
SMILESCOC(=O)c1ccccc1N(C)S(=O)(=O)C1CCCCC1
InChIInChI=1S/C15H21NO4S/c1-16(21(18,19)12-8-4-3-5-9-12)14-11-7-6-10-13(14)15(17)20-2/h6-7,10-12H,3-5,8-9H2,1-2H3
InChIKeyQMCDFBHHTPIKEC-UHFFFAOYSA-N
XLogP2.57
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[3-cyclopentylpropanoyl(methyl)amino]benzoate
CID 43409536
methyl 2-[(4-hydroxycyclohexyl)-methylamino]benzoate
CID 117029658
methyl 2-[cyclopropylcarbamoyl(methyl)amino]benzoate
CID 62700811
methyl 2-[methyl(2-methylsulfonylethyl)amino]benzoate
CID 62027116
methyl 2-[3-methoxypropylsulfonyl(methyl)amino]benzoate
CID 63288047
methyl 2-[azepane-1-carbonyl(methyl)amino]benzoate
CID 79157661
2-[(1,1-dioxothiolan-3-yl)sulfonyl-methylamino]benzoic acid
CID 43172795
methyl 2-[methyl-[2-(oxolan-2-yl)ethyl]amino]benzoate
CID 65166161
methyl 2-[methyl-(2-methylcyclopropanecarbonyl)amino]benzoate
CID 43409538
methyl 2-[(2,5-dimethylphenyl)sulfonyl-methylamino]benzoate
CID 78830595
dimethyl 2,5-bis(N-cyclohexyl-2-fluoroanilino)benzene-1,4-dicarboxylate
CID 21058664
methyl 2-[cyclohex-3-ene-1-carbonyl(methyl)amino]benzoate
CID 43423118

Frequently Asked Questions

What is the IUPAC name of methyl 2-[cyclohexylsulfonyl(methyl)amino]benzoate?
The IUPAC name of methyl 2-[cyclohexylsulfonyl(methyl)amino]benzoate (CID 61060789) is methyl 2-[cyclohexylsulfonyl(methyl)amino]benzoate.
What is the SMILES notation for methyl 2-[cyclohexylsulfonyl(methyl)amino]benzoate?
The canonical SMILES for methyl 2-[cyclohexylsulfonyl(methyl)amino]benzoate is COC(=O)c1ccccc1N(C)S(=O)(=O)C1CCCCC1.
What is the InChIKey of methyl 2-[cyclohexylsulfonyl(methyl)amino]benzoate?
The InChIKey is QMCDFBHHTPIKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4S/c1-16(21(18,19)12-8-4-3-5-9-12)14-11-7-6-10-13(14)15(17)20-2/h6-7,10-12H,3-5,8-9H2,1-2H3.
What are the key properties of methyl 2-[cyclohexylsulfonyl(methyl)amino]benzoate?
methyl 2-[cyclohexylsulfonyl(methyl)amino]benzoate has a molecular weight of 311.40 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[cyclohexylsulfonyl(methyl)amino]benzoate is sourced from PubChem (CID 61060789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).