methyl 4-[cyclohexyl(methyl)sulfamoyl]benzoate

C15H21NO4S — CID 26526871

IUPACmethyl 4-[cyclohexyl(methyl)sulfamoyl]benzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1
InChIInChI=1S/C15H21NO4S/c1-16(13-6-4-3-5-7-13)21(18,19)14-10-8-12(9-11-14)15(17)20-2/h8-11,13H,3-7H2,1-2H3
InChIKeySDCHDCRHDLSVQJ-UHFFFAOYSA-N
MW311.40 g/mol
LogP2.43
Rot. Bonds4

About methyl 4-[cyclohexyl(methyl)sulfamoyl]benzoate

methyl 4-[cyclohexyl(methyl)sulfamoyl]benzoate (PubChem CID 26526871) has the molecular formula C15H21NO4S and a molecular weight of 311.40 g/mol. Its IUPAC name is methyl 4-[cyclohexyl(methyl)sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[cyclohexyl(methyl)sulfamoyl]benzoate
PubChem CID26526871
Molecular FormulaC15H21NO4S
Molecular Weight311.40 g/mol
Exact Mass311.12
IUPAC Namemethyl 4-[cyclohexyl(methyl)sulfamoyl]benzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1
InChIInChI=1S/C15H21NO4S/c1-16(13-6-4-3-5-7-13)21(18,19)14-10-8-12(9-11-14)15(17)20-2/h8-11,13H,3-7H2,1-2H3
InChIKeySDCHDCRHDLSVQJ-UHFFFAOYSA-N
XLogP2.43
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 ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 4-[cyclohexyl(methyl)sulfamoyl]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-[methyl(piperidin-4-yl)sulfamoyl]benzoate;hydrochloride
CID 119965724
4-[cyclopentyl(methyl)sulfamoyl]benzoic acid
CID 43213257
[2-(2-acetylhydrazinyl)-2-oxoethyl] 4-[cyclohexyl(methyl)sulfamoyl]benzoate
CID 8944471
[(2R)-1-oxo-1-(propan-2-ylamino)propan-2-yl] 4-[cyclohexyl(methyl)sulfamoyl]benzoate
CID 8944484
methyl 4-[[(3S)-1,1-dioxothiolan-3-yl]-methylsulfamoyl]benzoate
CID 26526849
methyl 4-[2-[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-1,3-thiazol-4-yl]benzoate
CID 3450897
[1-(tert-butylamino)-1-oxopropan-2-yl] 4-[cyclohexyl(methyl)sulfamoyl]benzoate
CID 46624780
4-[cyclohexyl(methyl)sulfamoyl]-N-cyclopentyl-N-ethylbenzamide
CID 134060936
4-[cyclohexyl(methyl)sulfamoyl]-N-(3-methylbutan-2-yl)benzamide
CID 55450487
[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl] 4-[cyclohexyl(methyl)sulfamoyl]benzoate
CID 8944489
N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-4-(methoxymethyl)benzamide
CID 46806930
methyl 2-[4-[cyclobutyl(methyl)sulfamoyl]phenyl]acetate
CID 115650746

Frequently Asked Questions

What is the IUPAC name of methyl 4-[cyclohexyl(methyl)sulfamoyl]benzoate?
The IUPAC name of methyl 4-[cyclohexyl(methyl)sulfamoyl]benzoate (CID 26526871) is methyl 4-[cyclohexyl(methyl)sulfamoyl]benzoate.
What is the SMILES notation for methyl 4-[cyclohexyl(methyl)sulfamoyl]benzoate?
The canonical SMILES for methyl 4-[cyclohexyl(methyl)sulfamoyl]benzoate is COC(=O)c1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1.
What is the InChIKey of methyl 4-[cyclohexyl(methyl)sulfamoyl]benzoate?
The InChIKey is SDCHDCRHDLSVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4S/c1-16(13-6-4-3-5-7-13)21(18,19)14-10-8-12(9-11-14)15(17)20-2/h8-11,13H,3-7H2,1-2H3.
What are the key properties of methyl 4-[cyclohexyl(methyl)sulfamoyl]benzoate?
methyl 4-[cyclohexyl(methyl)sulfamoyl]benzoate has a molecular weight of 311.40 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[cyclohexyl(methyl)sulfamoyl]benzoate is sourced from PubChem (CID 26526871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).