methyl 4-[(2-amino-2-methylpropyl)sulfamoyl]-3-methoxybenzoate;hydrochloride

C13H21ClN2O5S — CID 120711512

IUPACmethyl 4-[(2-amino-2-methylpropyl)sulfamoyl]-3-methoxybenzoate;hydrochloride
SMILESCOC(=O)c1ccc(S(=O)(=O)NCC(C)(C)N)c(OC)c1.Cl
InChIInChI=1S/C13H20N2O5S.ClH/c1-13(2,14)8-15-21(17,18)11-6-5-9(12(16)20-4)7-10(11)19-3;/h5-7,15H,8,14H2,1-4H3;1H
InChIKeyQJQORTJULVUVQV-UHFFFAOYSA-N
MW352.84 g/mol
LogP0.92
Rot. Bonds6

About methyl 4-[(2-amino-2-methylpropyl)sulfamoyl]-3-methoxybenzoate;hydrochloride

methyl 4-[(2-amino-2-methylpropyl)sulfamoyl]-3-methoxybenzoate;hydrochloride (PubChem CID 120711512) has the molecular formula C13H21ClN2O5S and a molecular weight of 352.84 g/mol. Its IUPAC name is methyl 4-[(2-amino-2-methylpropyl)sulfamoyl]-3-methoxybenzoate;hydrochloride.

Molecular Properties

Compound Namemethyl 4-[(2-amino-2-methylpropyl)sulfamoyl]-3-methoxybenzoate;hydrochloride
PubChem CID120711512
Molecular FormulaC13H21ClN2O5S
Molecular Weight352.84 g/mol
Exact Mass352.09
IUPAC Namemethyl 4-[(2-amino-2-methylpropyl)sulfamoyl]-3-methoxybenzoate;hydrochloride
SMILESCOC(=O)c1ccc(S(=O)(=O)NCC(C)(C)N)c(OC)c1.Cl
InChIInChI=1S/C13H20N2O5S.ClH/c1-13(2,14)8-15-21(17,18)11-6-5-9(12(16)20-4)7-10(11)19-3;/h5-7,15H,8,14H2,1-4H3;1H
InChIKeyQJQORTJULVUVQV-UHFFFAOYSA-N
XLogP0.92
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.84
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 4-[(2-amino-2-methylpropyl)sulfamoyl]-3-methoxybenzoate;hydrochloride with MolForge

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Related Compounds

methyl 4-[(2-amino-2-methylpropyl)sulfamoyl]-3-bromobenzoate;hydrochloride
CID 119988077
ethyl 3-[(2-amino-2-methylpropyl)sulfamoyl]-4-methylbenzoate;hydrochloride
CID 120711506
4-[(3-hydroxy-2,2-dimethylpropyl)sulfamoyl]-3-methoxybenzoic acid
CID 102695239
N-(2-amino-2-methylpropyl)-2-methoxy-4-nitrobenzenesulfonamide;hydrochloride
CID 119988044
methyl 3-methoxy-4-(2-piperazin-1-ylethylsulfamoyl)benzoate;dihydrochloride
CID 120707473
3-methoxy-4-(prop-2-ynylsulfamoyl)benzoic acid
CID 102694677
methyl 4-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)-3-methoxybenzoate;hydrochloride
CID 120707728
4-(4-hydroxybutylsulfamoyl)-3-methoxybenzoic acid
CID 106840483
methyl 3-amino-4-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]benzoate
CID 106165680
methyl 4-(2,3-dihydro-1H-isoindol-5-ylmethylsulfamoyl)-3-methoxybenzoate
CID 120723960
N-(2-amino-2-methylpropyl)-5-bromo-2-methoxy-4-methylbenzenesulfonamide;hydrochloride
CID 119988082
4-(3-hydroxybutylsulfamoyl)-3-methoxybenzoic acid
CID 102695016

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-amino-2-methylpropyl)sulfamoyl]-3-methoxybenzoate;hydrochloride?
The IUPAC name of methyl 4-[(2-amino-2-methylpropyl)sulfamoyl]-3-methoxybenzoate;hydrochloride (CID 120711512) is methyl 4-[(2-amino-2-methylpropyl)sulfamoyl]-3-methoxybenzoate;hydrochloride.
What is the SMILES notation for methyl 4-[(2-amino-2-methylpropyl)sulfamoyl]-3-methoxybenzoate;hydrochloride?
The canonical SMILES for methyl 4-[(2-amino-2-methylpropyl)sulfamoyl]-3-methoxybenzoate;hydrochloride is COC(=O)c1ccc(S(=O)(=O)NCC(C)(C)N)c(OC)c1.Cl.
What is the InChIKey of methyl 4-[(2-amino-2-methylpropyl)sulfamoyl]-3-methoxybenzoate;hydrochloride?
The InChIKey is QJQORTJULVUVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5S.ClH/c1-13(2,14)8-15-21(17,18)11-6-5-9(12(16)20-4)7-10(11)19-3;/h5-7,15H,8,14H2,1-4H3;1H.
What are the key properties of methyl 4-[(2-amino-2-methylpropyl)sulfamoyl]-3-methoxybenzoate;hydrochloride?
methyl 4-[(2-amino-2-methylpropyl)sulfamoyl]-3-methoxybenzoate;hydrochloride has a molecular weight of 352.84 g/mol, XLogP of 0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-amino-2-methylpropyl)sulfamoyl]-3-methoxybenzoate;hydrochloride is sourced from PubChem (CID 120711512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).