benzyl 5-(cyclopropylsulfamoyl)-2-methylbenzoate

C18H19NO4S — CID 46679142

IUPACbenzyl 5-(cyclopropylsulfamoyl)-2-methylbenzoate
SMILESCc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)OCc1ccccc1
InChIInChI=1S/C18H19NO4S/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/h2-7,10-11,15,19H,8-9,12H2,1H3
InChIKeyYAPGLBSJUAMHJT-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.79
Rot. Bonds6

About benzyl 5-(cyclopropylsulfamoyl)-2-methylbenzoate

benzyl 5-(cyclopropylsulfamoyl)-2-methylbenzoate (PubChem CID 46679142) has the molecular formula C18H19NO4S and a molecular weight of 345.42 g/mol. Its IUPAC name is benzyl 5-(cyclopropylsulfamoyl)-2-methylbenzoate.

Molecular Properties

Compound Namebenzyl 5-(cyclopropylsulfamoyl)-2-methylbenzoate
PubChem CID46679142
Molecular FormulaC18H19NO4S
Molecular Weight345.42 g/mol
Exact Mass345.10
IUPAC Namebenzyl 5-(cyclopropylsulfamoyl)-2-methylbenzoate
SMILESCc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)OCc1ccccc1
InChIInChI=1S/C18H19NO4S/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/h2-7,10-11,15,19H,8-9,12H2,1H3
InChIKeyYAPGLBSJUAMHJT-UHFFFAOYSA-N
XLogP2.79
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chlorophenyl)methyl 5-(cyclopropylsulfamoyl)-2-methylbenzoate
CID 55490032
[2-oxo-2-(3-phenylpropylamino)ethyl] 5-(cyclopropylsulfamoyl)-2-methylbenzoate
CID 46603077
cyclohexylmethyl 5-(cyclopropylsulfamoyl)-2-methylbenzoate
CID 46679136
(3-oxobenzo[f]chromen-1-yl)methyl 5-(cyclopropylsulfamoyl)-2-methylbenzoate
CID 46679378
[2-(azepan-1-yl)-2-oxoethyl] 5-(cyclopropylsulfamoyl)-2-methylbenzoate
CID 46679189
[2-(3-methylbutan-2-ylamino)-2-oxoethyl] 5-(cyclopropylsulfamoyl)-2-methylbenzoate
CID 46679220
[2-(butan-2-ylamino)-2-oxoethyl] 5-(cyclopropylsulfamoyl)-2-methylbenzoate
CID 46679679
(6-chloro-4H-1,3-benzodioxin-8-yl)methyl 5-(cyclopropylsulfamoyl)-2-methylbenzoate
CID 55489449
[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl] 5-(cyclopropylsulfamoyl)-2-methylbenzoate
CID 55490199
5-(cyclopropylsulfamoyl)-2-methyl-N-(2-phenoxyethyl)benzamide
CID 32934577
[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 5-(cyclopropylsulfamoyl)-2-methylbenzoate
CID 55489788
[2-(3-chloroanilino)-2-oxoethyl] 5-(cyclopropylsulfamoyl)-2-methylbenzoate
CID 46679348

Frequently Asked Questions

What is the IUPAC name of benzyl 5-(cyclopropylsulfamoyl)-2-methylbenzoate?
The IUPAC name of benzyl 5-(cyclopropylsulfamoyl)-2-methylbenzoate (CID 46679142) is benzyl 5-(cyclopropylsulfamoyl)-2-methylbenzoate.
What is the SMILES notation for benzyl 5-(cyclopropylsulfamoyl)-2-methylbenzoate?
The canonical SMILES for benzyl 5-(cyclopropylsulfamoyl)-2-methylbenzoate is Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 5-(cyclopropylsulfamoyl)-2-methylbenzoate?
The InChIKey is YAPGLBSJUAMHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4S/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/h2-7,10-11,15,19H,8-9,12H2,1H3.
What are the key properties of benzyl 5-(cyclopropylsulfamoyl)-2-methylbenzoate?
benzyl 5-(cyclopropylsulfamoyl)-2-methylbenzoate has a molecular weight of 345.42 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 5-(cyclopropylsulfamoyl)-2-methylbenzoate is sourced from PubChem (CID 46679142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).