cyclohexylmethyl 5-(cyclopropylsulfamoyl)-2-methylbenzoate

C18H25NO4S — CID 46679136

IUPACcyclohexylmethyl 5-(cyclopropylsulfamoyl)-2-methylbenzoate
SMILESCc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)OCC1CCCCC1
InChIInChI=1S/C18H25NO4S/c1-13-7-10-16(24(21,22)19-15-8-9-15)11-17(13)18(20)23-12-14-5-3-2-4-6-14/h7,10-11,14-15,19H,2-6,8-9,12H2,1H3
InChIKeyJETASSWOYDPCPZ-UHFFFAOYSA-N
MW351.47 g/mol
LogP3.17
Rot. Bonds6

About cyclohexylmethyl 5-(cyclopropylsulfamoyl)-2-methylbenzoate

cyclohexylmethyl 5-(cyclopropylsulfamoyl)-2-methylbenzoate (PubChem CID 46679136) has the molecular formula C18H25NO4S and a molecular weight of 351.47 g/mol. Its IUPAC name is cyclohexylmethyl 5-(cyclopropylsulfamoyl)-2-methylbenzoate.

Molecular Properties

Compound Namecyclohexylmethyl 5-(cyclopropylsulfamoyl)-2-methylbenzoate
PubChem CID46679136
Molecular FormulaC18H25NO4S
Molecular Weight351.47 g/mol
Exact Mass351.15
IUPAC Namecyclohexylmethyl 5-(cyclopropylsulfamoyl)-2-methylbenzoate
SMILESCc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)OCC1CCCCC1
InChIInChI=1S/C18H25NO4S/c1-13-7-10-16(24(21,22)19-15-8-9-15)11-17(13)18(20)23-12-14-5-3-2-4-6-14/h7,10-11,14-15,19H,2-6,8-9,12H2,1H3
InChIKeyJETASSWOYDPCPZ-UHFFFAOYSA-N
XLogP3.17
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 5-(cyclopropylsulfamoyl)-2-methylbenzoate
CID 46679142
[2-(azepan-1-yl)-2-oxoethyl] 5-(cyclopropylsulfamoyl)-2-methylbenzoate
CID 46679189
(4-chlorophenyl)methyl 5-(cyclopropylsulfamoyl)-2-methylbenzoate
CID 55490032
methyl 5-(cyclohexylmethylsulfamoyl)-2-methylbenzoate
CID 100566433
[2-(3-methylbutan-2-ylamino)-2-oxoethyl] 5-(cyclopropylsulfamoyl)-2-methylbenzoate
CID 46679220
5-(cyclopropylsulfamoyl)-2-methyl-N-propan-2-ylbenzamide
CID 51233854
[2-(butan-2-ylamino)-2-oxoethyl] 5-(cyclopropylsulfamoyl)-2-methylbenzoate
CID 46679679
5-(cyclohexylmethylsulfamoyl)-2-methylbenzoic acid
CID 43238144
[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 5-(cyclopropylsulfamoyl)-2-methylbenzoate
CID 55489788
[2-oxo-2-(3-phenylpropylamino)ethyl] 5-(cyclopropylsulfamoyl)-2-methylbenzoate
CID 46603077
[2-(3-chloroanilino)-2-oxoethyl] 5-(cyclopropylsulfamoyl)-2-methylbenzoate
CID 46679348
[2-(cyclohexylamino)-2-oxoethyl] 2-methyl-5-sulfamoylbenzoate
CID 55320965

Frequently Asked Questions

What is the IUPAC name of cyclohexylmethyl 5-(cyclopropylsulfamoyl)-2-methylbenzoate?
The IUPAC name of cyclohexylmethyl 5-(cyclopropylsulfamoyl)-2-methylbenzoate (CID 46679136) is cyclohexylmethyl 5-(cyclopropylsulfamoyl)-2-methylbenzoate.
What is the SMILES notation for cyclohexylmethyl 5-(cyclopropylsulfamoyl)-2-methylbenzoate?
The canonical SMILES for cyclohexylmethyl 5-(cyclopropylsulfamoyl)-2-methylbenzoate is Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)OCC1CCCCC1.
What is the InChIKey of cyclohexylmethyl 5-(cyclopropylsulfamoyl)-2-methylbenzoate?
The InChIKey is JETASSWOYDPCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO4S/c1-13-7-10-16(24(21,22)19-15-8-9-15)11-17(13)18(20)23-12-14-5-3-2-4-6-14/h7,10-11,14-15,19H,2-6,8-9,12H2,1H3.
What are the key properties of cyclohexylmethyl 5-(cyclopropylsulfamoyl)-2-methylbenzoate?
cyclohexylmethyl 5-(cyclopropylsulfamoyl)-2-methylbenzoate has a molecular weight of 351.47 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylmethyl 5-(cyclopropylsulfamoyl)-2-methylbenzoate is sourced from PubChem (CID 46679136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).