cyclohexylmethyl 3-(benzylsulfamoyl)benzoate

C21H25NO4S — CID 7666483

IUPACcyclohexylmethyl 3-(benzylsulfamoyl)benzoate
SMILESO=C(OCC1CCCCC1)c1cccc(S(=O)(=O)NCc2ccccc2)c1
InChIInChI=1S/C21H25NO4S/c23-21(26-16-18-10-5-2-6-11-18)19-12-7-13-20(14-19)27(24,25)22-15-17-8-3-1-4-9-17/h1,3-4,7-9,12-14,18,22H,2,5-6,10-11,15-16H2
InChIKeyGBDRBYPSSJZNFU-UHFFFAOYSA-N
MW387.50 g/mol
LogP3.90
Rot. Bonds7

About cyclohexylmethyl 3-(benzylsulfamoyl)benzoate

cyclohexylmethyl 3-(benzylsulfamoyl)benzoate (PubChem CID 7666483) has the molecular formula C21H25NO4S and a molecular weight of 387.50 g/mol. Its IUPAC name is cyclohexylmethyl 3-(benzylsulfamoyl)benzoate.

Molecular Properties

Compound Namecyclohexylmethyl 3-(benzylsulfamoyl)benzoate
PubChem CID7666483
Molecular FormulaC21H25NO4S
Molecular Weight387.50 g/mol
Exact Mass387.15
IUPAC Namecyclohexylmethyl 3-(benzylsulfamoyl)benzoate
SMILESO=C(OCC1CCCCC1)c1cccc(S(=O)(=O)NCc2ccccc2)c1
InChIInChI=1S/C21H25NO4S/c23-21(26-16-18-10-5-2-6-11-18)19-12-7-13-20(14-19)27(24,25)22-15-17-8-3-1-4-9-17/h1,3-4,7-9,12-14,18,22H,2,5-6,10-11,15-16H2
InChIKeyGBDRBYPSSJZNFU-UHFFFAOYSA-N
XLogP3.90
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.50
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(1S)-2-oxocyclohexyl] 3-(benzylsulfamoyl)benzoate
CID 2380279
[2-oxo-2-(propan-2-ylamino)ethyl] 3-(benzylsulfamoyl)benzoate
CID 2431315
N-benzyl-3-(hydrazinecarbonyl)benzenesulfonamide
CID 2442245
3-(benzylsulfamoyl)-N-cyclopropylbenzamide
CID 9165600
pyridin-2-ylmethyl 3-(benzylsulfamoyl)benzoate
CID 18136103
[2-(4-methylphenyl)-2-oxoethyl] 3-(benzylsulfamoyl)benzoate
CID 25047077
(1-amino-1-oxopropan-2-yl) 3-(benzylsulfamoyl)benzoate
CID 42900603
3-(benzylsulfamoyl)-N-[(1S,2R)-2-methylcyclohexyl]benzamide
CID 9404478
[2-(3,4-dimethylphenyl)-2-oxoethyl] 3-(benzylsulfamoyl)benzoate
CID 25038980
[2-(4-acetamidoanilino)-2-oxoethyl] 3-(benzylsulfamoyl)benzoate
CID 55313269
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 3-(benzylsulfamoyl)benzoate
CID 2096209
1-phenylethyl 3-(benzylsulfamoyl)benzoate
CID 16520938

Frequently Asked Questions

What is the IUPAC name of cyclohexylmethyl 3-(benzylsulfamoyl)benzoate?
The IUPAC name of cyclohexylmethyl 3-(benzylsulfamoyl)benzoate (CID 7666483) is cyclohexylmethyl 3-(benzylsulfamoyl)benzoate.
What is the SMILES notation for cyclohexylmethyl 3-(benzylsulfamoyl)benzoate?
The canonical SMILES for cyclohexylmethyl 3-(benzylsulfamoyl)benzoate is O=C(OCC1CCCCC1)c1cccc(S(=O)(=O)NCc2ccccc2)c1.
What is the InChIKey of cyclohexylmethyl 3-(benzylsulfamoyl)benzoate?
The InChIKey is GBDRBYPSSJZNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO4S/c23-21(26-16-18-10-5-2-6-11-18)19-12-7-13-20(14-19)27(24,25)22-15-17-8-3-1-4-9-17/h1,3-4,7-9,12-14,18,22H,2,5-6,10-11,15-16H2.
What are the key properties of cyclohexylmethyl 3-(benzylsulfamoyl)benzoate?
cyclohexylmethyl 3-(benzylsulfamoyl)benzoate has a molecular weight of 387.50 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylmethyl 3-(benzylsulfamoyl)benzoate is sourced from PubChem (CID 7666483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).