cyclohexyloxycarbonyloxymethyl 3-[(2,5-dimethylphenyl)sulfamoyl]benzoate

C23H27NO7S — CID 167681469

IUPACcyclohexyloxycarbonyloxymethyl 3-[(2,5-dimethylphenyl)sulfamoyl]benzoate
SMILESCc1ccc(C)c(NS(=O)(=O)c2cccc(C(=O)OCOC(=O)OC3CCCCC3)c2)c1
InChIInChI=1S/C23H27NO7S/c1-16-11-12-17(2)21(13-16)24-32(27,28)20-10-6-7-18(14-20)22(25)29-15-30-23(26)31-19-8-4-3-5-9-19/h6-7,10-14,19,24H,3-5,8-9,15H2,1-2H3
InChIKeyVPIUVHMVGCAGAF-UHFFFAOYSA-N
MW461.54 g/mol
LogP4.70
Rot. Bonds7

About cyclohexyloxycarbonyloxymethyl 3-[(2,5-dimethylphenyl)sulfamoyl]benzoate

cyclohexyloxycarbonyloxymethyl 3-[(2,5-dimethylphenyl)sulfamoyl]benzoate (PubChem CID 167681469) has the molecular formula C23H27NO7S and a molecular weight of 461.54 g/mol. Its IUPAC name is cyclohexyloxycarbonyloxymethyl 3-[(2,5-dimethylphenyl)sulfamoyl]benzoate.

Molecular Properties

Compound Namecyclohexyloxycarbonyloxymethyl 3-[(2,5-dimethylphenyl)sulfamoyl]benzoate
PubChem CID167681469
Molecular FormulaC23H27NO7S
Molecular Weight461.54 g/mol
Exact Mass461.15
IUPAC Namecyclohexyloxycarbonyloxymethyl 3-[(2,5-dimethylphenyl)sulfamoyl]benzoate
SMILESCc1ccc(C)c(NS(=O)(=O)c2cccc(C(=O)OCOC(=O)OC3CCCCC3)c2)c1
InChIInChI=1S/C23H27NO7S/c1-16-11-12-17(2)21(13-16)24-32(27,28)20-10-6-7-18(14-20)22(25)29-15-30-23(26)31-19-8-4-3-5-9-19/h6-7,10-14,19,24H,3-5,8-9,15H2,1-2H3
InChIKeyVPIUVHMVGCAGAF-UHFFFAOYSA-N
XLogP4.70
TPSA108.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.54
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze cyclohexyloxycarbonyloxymethyl 3-[(2,5-dimethylphenyl)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

cyclohexyl 3-(methylsulfamoyl)benzoate
CID 78840543
N-(2,5-dimethylphenyl)-3-methylbenzenesulfonamide
CID 47104321
N-butyl-3-[(2,5-dimethylphenyl)sulfamoyl]benzamide
CID 109062590
3-[(2,5-dimethylphenyl)sulfamoyl]-N-phenylbenzamide
CID 109065673
cyclohexyl N-(2,5-dimethylphenyl)carbamate
CID 3262624
[2-(cyclopentylamino)-2-oxoethyl] 3-[(3-methylphenyl)sulfamoyl]benzoate
CID 2706798
3-[(5-chloro-2-methylphenyl)sulfamoyl]-N-cyclopentylbenzamide
CID 109063245
cyclobutyl 3-methylbenzoate
CID 530470
[2-(dicyclohexylamino)-2-oxoethyl] 3-(methylsulfamoyl)benzoate
CID 3915841
3-[(2,5-dimethylphenyl)sulfamoyl]-N-(furan-2-ylmethyl)benzamide
CID 109064483
(4-methylphenyl)methyl 3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzoate
CID 7976761
N-(5-chloro-2-methylphenyl)-3-(hydrazinecarbonyl)benzenesulfonamide
CID 100657069

Frequently Asked Questions

What is the IUPAC name of cyclohexyloxycarbonyloxymethyl 3-[(2,5-dimethylphenyl)sulfamoyl]benzoate?
The IUPAC name of cyclohexyloxycarbonyloxymethyl 3-[(2,5-dimethylphenyl)sulfamoyl]benzoate (CID 167681469) is cyclohexyloxycarbonyloxymethyl 3-[(2,5-dimethylphenyl)sulfamoyl]benzoate.
What is the SMILES notation for cyclohexyloxycarbonyloxymethyl 3-[(2,5-dimethylphenyl)sulfamoyl]benzoate?
The canonical SMILES for cyclohexyloxycarbonyloxymethyl 3-[(2,5-dimethylphenyl)sulfamoyl]benzoate is Cc1ccc(C)c(NS(=O)(=O)c2cccc(C(=O)OCOC(=O)OC3CCCCC3)c2)c1.
What is the InChIKey of cyclohexyloxycarbonyloxymethyl 3-[(2,5-dimethylphenyl)sulfamoyl]benzoate?
The InChIKey is VPIUVHMVGCAGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO7S/c1-16-11-12-17(2)21(13-16)24-32(27,28)20-10-6-7-18(14-20)22(25)29-15-30-23(26)31-19-8-4-3-5-9-19/h6-7,10-14,19,24H,3-5,8-9,15H2,1-2H3.
What are the key properties of cyclohexyloxycarbonyloxymethyl 3-[(2,5-dimethylphenyl)sulfamoyl]benzoate?
cyclohexyloxycarbonyloxymethyl 3-[(2,5-dimethylphenyl)sulfamoyl]benzoate has a molecular weight of 461.54 g/mol, XLogP of 4.70, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyloxycarbonyloxymethyl 3-[(2,5-dimethylphenyl)sulfamoyl]benzoate is sourced from PubChem (CID 167681469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).