methyl 4-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]-2-methoxybenzoate;hydrochloride

C15H25ClN2O5S — CID 120712229

IUPACmethyl 4-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]-2-methoxybenzoate;hydrochloride
SMILESCOC(=O)c1ccc(S(=O)(=O)N(C)CC(C)(C)CN)cc1OC.Cl
InChIInChI=1S/C15H24N2O5S.ClH/c1-15(2,9-16)10-17(3)23(19,20)11-6-7-12(14(18)22-5)13(8-11)21-4;/h6-8H,9-10,16H2,1-5H3;1H
InChIKeyJAZAXLPNZHEFIB-UHFFFAOYSA-N
MW380.89 g/mol
LogP1.51
Rot. Bonds7

About methyl 4-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]-2-methoxybenzoate;hydrochloride

methyl 4-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]-2-methoxybenzoate;hydrochloride (PubChem CID 120712229) has the molecular formula C15H25ClN2O5S and a molecular weight of 380.89 g/mol. Its IUPAC name is methyl 4-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]-2-methoxybenzoate;hydrochloride.

Molecular Properties

Compound Namemethyl 4-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]-2-methoxybenzoate;hydrochloride
PubChem CID120712229
Molecular FormulaC15H25ClN2O5S
Molecular Weight380.89 g/mol
Exact Mass380.12
IUPAC Namemethyl 4-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]-2-methoxybenzoate;hydrochloride
SMILESCOC(=O)c1ccc(S(=O)(=O)N(C)CC(C)(C)CN)cc1OC.Cl
InChIInChI=1S/C15H24N2O5S.ClH/c1-15(2,9-16)10-17(3)23(19,20)11-6-7-12(14(18)22-5)13(8-11)21-4;/h6-8H,9-10,16H2,1-5H3;1H
InChIKeyJAZAXLPNZHEFIB-UHFFFAOYSA-N
XLogP1.51
TPSA98.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.89
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-3-bromo-4-methoxy-N-methylbenzenesulfonamide
CID 79653090
methyl 5-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]-4-methoxythiophene-2-carboxylate;hydrochloride
CID 119991707
methyl 4-[furan-2-ylmethyl(methyl)sulfamoyl]-2-methoxybenzoate
CID 100686080
4-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]benzamide;hydrochloride
CID 119991586
N-(3-amino-2,2-dimethylpropyl)-2-methoxy-N-methyl-5-nitrobenzenesulfonamide;hydrochloride
CID 119991442
N-(3-amino-2,2-dimethylpropyl)-2,5-dichloro-4-methoxy-N-methylbenzenesulfonamide;hydrochloride
CID 119991685
N-(3-amino-2,2-dimethylpropyl)-2-methoxy-N-methylbenzenesulfonamide
CID 79652521
4-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]benzamide
CID 79652029
N-[5-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]-2-fluorophenyl]acetamide
CID 119991889
N-(3-amino-2,2-dimethylpropyl)-4-chloro-N-methylbenzenesulfonamide;hydrochloride
CID 119991423
methyl 4-(3-aminopropylsulfamoyl)-2-methoxybenzoate;hydrochloride
CID 120706751
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide;hydrochloride
CID 119991645

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]-2-methoxybenzoate;hydrochloride?
The IUPAC name of methyl 4-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]-2-methoxybenzoate;hydrochloride (CID 120712229) is methyl 4-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]-2-methoxybenzoate;hydrochloride.
What is the SMILES notation for methyl 4-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]-2-methoxybenzoate;hydrochloride?
The canonical SMILES for methyl 4-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]-2-methoxybenzoate;hydrochloride is COC(=O)c1ccc(S(=O)(=O)N(C)CC(C)(C)CN)cc1OC.Cl.
What is the InChIKey of methyl 4-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]-2-methoxybenzoate;hydrochloride?
The InChIKey is JAZAXLPNZHEFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O5S.ClH/c1-15(2,9-16)10-17(3)23(19,20)11-6-7-12(14(18)22-5)13(8-11)21-4;/h6-8H,9-10,16H2,1-5H3;1H.
What are the key properties of methyl 4-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]-2-methoxybenzoate;hydrochloride?
methyl 4-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]-2-methoxybenzoate;hydrochloride has a molecular weight of 380.89 g/mol, XLogP of 1.51, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]-2-methoxybenzoate;hydrochloride is sourced from PubChem (CID 120712229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).