methyl 2-[(2-amino-2-ethylbutyl)sulfamoylmethyl]benzoate

C15H24N2O4S — CID 119989981

IUPACmethyl 2-[(2-amino-2-ethylbutyl)sulfamoylmethyl]benzoate
SMILESCCC(N)(CC)CNS(=O)(=O)Cc1ccccc1C(=O)OC
InChIInChI=1S/C15H24N2O4S/c1-4-15(16,5-2)11-17-22(19,20)10-12-8-6-7-9-13(12)14(18)21-3/h6-9,17H,4-5,10-11,16H2,1-3H3
InChIKeyJKYVGXWQSLVAEJ-UHFFFAOYSA-N
MW328.43 g/mol
LogP1.41
Rot. Bonds8

About methyl 2-[(2-amino-2-ethylbutyl)sulfamoylmethyl]benzoate

methyl 2-[(2-amino-2-ethylbutyl)sulfamoylmethyl]benzoate (PubChem CID 119989981) has the molecular formula C15H24N2O4S and a molecular weight of 328.43 g/mol. Its IUPAC name is methyl 2-[(2-amino-2-ethylbutyl)sulfamoylmethyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[(2-amino-2-ethylbutyl)sulfamoylmethyl]benzoate
PubChem CID119989981
Molecular FormulaC15H24N2O4S
Molecular Weight328.43 g/mol
Exact Mass328.15
IUPAC Namemethyl 2-[(2-amino-2-ethylbutyl)sulfamoylmethyl]benzoate
SMILESCCC(N)(CC)CNS(=O)(=O)Cc1ccccc1C(=O)OC
InChIInChI=1S/C15H24N2O4S/c1-4-15(16,5-2)11-17-22(19,20)10-12-8-6-7-9-13(12)14(18)21-3/h6-9,17H,4-5,10-11,16H2,1-3H3
InChIKeyJKYVGXWQSLVAEJ-UHFFFAOYSA-N
XLogP1.41
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(4-aminocyclohexyl)sulfamoylmethyl]benzoate
CID 119970801
methyl 5-[(2-amino-2-ethylbutyl)sulfamoyl]-2-methoxybenzoate
CID 119989908
methane;methyl 2-propylbenzoate
CID 167647144
methyl 2-(propanoyloxymethyl)benzoate
CID 20717774
ethane;methyl 2-(bromomethyl)benzoate
CID 90986523
ethane;methyl 2-(bromomethyl)benzoate
CID 90979154
methyl 2-(azetidine-3-carbonylsulfamoylmethyl)benzoate
CID 141166082
methyl 2-[[2-(aminomethyl)cyclopentyl]sulfamoylmethyl]benzoate
CID 119985769
N-(2-amino-2-ethylbutyl)-2-ethylbenzenesulfonamide;hydrochloride
CID 120711865
methyl 2-(aziridin-2-ylmethylsulfonylmethyl)benzoate
CID 87984912
methyl 2-[[2-(ethylsulfamoyl)ethylamino]methyl]benzoate
CID 103922739
methyl 2-(2,3-dihydro-1H-isoindol-5-ylmethylsulfamoylmethyl)benzoate
CID 120724118

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-amino-2-ethylbutyl)sulfamoylmethyl]benzoate?
The IUPAC name of methyl 2-[(2-amino-2-ethylbutyl)sulfamoylmethyl]benzoate (CID 119989981) is methyl 2-[(2-amino-2-ethylbutyl)sulfamoylmethyl]benzoate.
What is the SMILES notation for methyl 2-[(2-amino-2-ethylbutyl)sulfamoylmethyl]benzoate?
The canonical SMILES for methyl 2-[(2-amino-2-ethylbutyl)sulfamoylmethyl]benzoate is CCC(N)(CC)CNS(=O)(=O)Cc1ccccc1C(=O)OC.
What is the InChIKey of methyl 2-[(2-amino-2-ethylbutyl)sulfamoylmethyl]benzoate?
The InChIKey is JKYVGXWQSLVAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4S/c1-4-15(16,5-2)11-17-22(19,20)10-12-8-6-7-9-13(12)14(18)21-3/h6-9,17H,4-5,10-11,16H2,1-3H3.
What are the key properties of methyl 2-[(2-amino-2-ethylbutyl)sulfamoylmethyl]benzoate?
methyl 2-[(2-amino-2-ethylbutyl)sulfamoylmethyl]benzoate has a molecular weight of 328.43 g/mol, XLogP of 1.41, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-amino-2-ethylbutyl)sulfamoylmethyl]benzoate is sourced from PubChem (CID 119989981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).