ethyl 3-[(2-amino-2-methylpropyl)sulfamoyl]-4-methylbenzoate;hydrochloride

C14H23ClN2O4S — CID 120711506

IUPACethyl 3-[(2-amino-2-methylpropyl)sulfamoyl]-4-methylbenzoate;hydrochloride
SMILESCCOC(=O)c1ccc(C)c(S(=O)(=O)NCC(C)(C)N)c1.Cl
InChIInChI=1S/C14H22N2O4S.ClH/c1-5-20-13(17)11-7-6-10(2)12(8-11)21(18,19)16-9-14(3,4)15;/h6-8,16H,5,9,15H2,1-4H3;1H
InChIKeyBWQDKKNVABGJMP-UHFFFAOYSA-N
MW350.87 g/mol
LogP1.61
Rot. Bonds6

About ethyl 3-[(2-amino-2-methylpropyl)sulfamoyl]-4-methylbenzoate;hydrochloride

ethyl 3-[(2-amino-2-methylpropyl)sulfamoyl]-4-methylbenzoate;hydrochloride (PubChem CID 120711506) has the molecular formula C14H23ClN2O4S and a molecular weight of 350.87 g/mol. Its IUPAC name is ethyl 3-[(2-amino-2-methylpropyl)sulfamoyl]-4-methylbenzoate;hydrochloride.

Molecular Properties

Compound Nameethyl 3-[(2-amino-2-methylpropyl)sulfamoyl]-4-methylbenzoate;hydrochloride
PubChem CID120711506
Molecular FormulaC14H23ClN2O4S
Molecular Weight350.87 g/mol
Exact Mass350.11
IUPAC Nameethyl 3-[(2-amino-2-methylpropyl)sulfamoyl]-4-methylbenzoate;hydrochloride
SMILESCCOC(=O)c1ccc(C)c(S(=O)(=O)NCC(C)(C)N)c1.Cl
InChIInChI=1S/C14H22N2O4S.ClH/c1-5-20-13(17)11-7-6-10(2)12(8-11)21(18,19)16-9-14(3,4)15;/h6-8,16H,5,9,15H2,1-4H3;1H
InChIKeyBWQDKKNVABGJMP-UHFFFAOYSA-N
XLogP1.61
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.87
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-methyl-3-[2-(propylamino)ethylsulfamoyl]benzoate;hydrochloride
CID 120716016
ethyl 3-(3-aminopropylsulfamoyl)-4-methylbenzoate
CID 120706731
ethyl 3-[(1-amino-2-methylpropan-2-yl)sulfamoyl]-4-methylbenzoate;hydrochloride
CID 120709189
ethyl 3-[2-(4-aminophenyl)ethylsulfamoyl]-4-methylbenzoate;hydrochloride
CID 120715587
N-(2-amino-2-methylpropyl)-2,5-dimethylbenzenesulfonamide;hydrochloride
CID 119988451
methyl 4-[(2-amino-2-methylpropyl)sulfamoyl]-3-methoxybenzoate;hydrochloride
CID 120711512
ethyl 4-(ethylsulfamoyl)-3-methylbenzoate
CID 54478555
ethyl 4-methyl-3-(pyrrolidin-2-ylmethylsulfamoyl)benzoate
CID 120708944
methyl 4-[(2-amino-2-methylpropyl)sulfamoyl]-3-bromobenzoate;hydrochloride
CID 119988077
3-[(3-amino-2,2-dimethyl-3-oxopropyl)sulfamoyl]-4-methylbenzoic acid
CID 106275642
N-(2-amino-2-methylpropyl)-5-bromo-2-methylbenzenesulfonamide
CID 115303519
4-methyl-3-(2,2,2-trifluoroethylsulfamoyl)benzoic acid
CID 29043972

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(2-amino-2-methylpropyl)sulfamoyl]-4-methylbenzoate;hydrochloride?
The IUPAC name of ethyl 3-[(2-amino-2-methylpropyl)sulfamoyl]-4-methylbenzoate;hydrochloride (CID 120711506) is ethyl 3-[(2-amino-2-methylpropyl)sulfamoyl]-4-methylbenzoate;hydrochloride.
What is the SMILES notation for ethyl 3-[(2-amino-2-methylpropyl)sulfamoyl]-4-methylbenzoate;hydrochloride?
The canonical SMILES for ethyl 3-[(2-amino-2-methylpropyl)sulfamoyl]-4-methylbenzoate;hydrochloride is CCOC(=O)c1ccc(C)c(S(=O)(=O)NCC(C)(C)N)c1.Cl.
What is the InChIKey of ethyl 3-[(2-amino-2-methylpropyl)sulfamoyl]-4-methylbenzoate;hydrochloride?
The InChIKey is BWQDKKNVABGJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S.ClH/c1-5-20-13(17)11-7-6-10(2)12(8-11)21(18,19)16-9-14(3,4)15;/h6-8,16H,5,9,15H2,1-4H3;1H.
What are the key properties of ethyl 3-[(2-amino-2-methylpropyl)sulfamoyl]-4-methylbenzoate;hydrochloride?
ethyl 3-[(2-amino-2-methylpropyl)sulfamoyl]-4-methylbenzoate;hydrochloride has a molecular weight of 350.87 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(2-amino-2-methylpropyl)sulfamoyl]-4-methylbenzoate;hydrochloride is sourced from PubChem (CID 120711506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).