methyl 3,4-dimethyl-5-[2-(methylamino)propylsulfamoyl]benzoate;hydrochloride

C14H23ClN2O4S — CID 120824543

IUPACmethyl 3,4-dimethyl-5-[2-(methylamino)propylsulfamoyl]benzoate;hydrochloride
SMILESCNC(C)CNS(=O)(=O)c1cc(C(=O)OC)cc(C)c1C.Cl
InChIInChI=1S/C14H22N2O4S.ClH/c1-9-6-12(14(17)20-5)7-13(11(9)3)21(18,19)16-8-10(2)15-4;/h6-7,10,15-16H,8H2,1-5H3;1H
InChIKeyJMOIXWJUZKAARB-UHFFFAOYSA-N
MW350.87 g/mol
LogP1.40
Rot. Bonds6

About methyl 3,4-dimethyl-5-[2-(methylamino)propylsulfamoyl]benzoate;hydrochloride

methyl 3,4-dimethyl-5-[2-(methylamino)propylsulfamoyl]benzoate;hydrochloride (PubChem CID 120824543) has the molecular formula C14H23ClN2O4S and a molecular weight of 350.87 g/mol. Its IUPAC name is methyl 3,4-dimethyl-5-[2-(methylamino)propylsulfamoyl]benzoate;hydrochloride.

Molecular Properties

Compound Namemethyl 3,4-dimethyl-5-[2-(methylamino)propylsulfamoyl]benzoate;hydrochloride
PubChem CID120824543
Molecular FormulaC14H23ClN2O4S
Molecular Weight350.87 g/mol
Exact Mass350.11
IUPAC Namemethyl 3,4-dimethyl-5-[2-(methylamino)propylsulfamoyl]benzoate;hydrochloride
SMILESCNC(C)CNS(=O)(=O)c1cc(C(=O)OC)cc(C)c1C.Cl
InChIInChI=1S/C14H22N2O4S.ClH/c1-9-6-12(14(17)20-5)7-13(11(9)3)21(18,19)16-8-10(2)15-4;/h6-7,10,15-16H,8H2,1-5H3;1H
InChIKeyJMOIXWJUZKAARB-UHFFFAOYSA-N
XLogP1.40
TPSA84.50 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 ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-methyl-2-[2-(methylamino)propylsulfamoyl]benzoate;hydrochloride
CID 120824725
2,5-difluoro-4-methyl-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120825289
methyl 3-(2-aminopropylsulfamoyl)-4-methylbenzoate
CID 55229717
3-[(3-hydroxy-2-methylpropyl)sulfamoyl]-4,5-dimethylbenzoic acid
CID 65033957
2-bromo-3-methyl-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120825442
methyl 2-fluoro-6-[2-(methylamino)propylsulfamoyl]benzoate
CID 120825283
methyl 3-[(3,3-difluoro-2-hydroxypropyl)sulfamoyl]-4-methylbenzoate
CID 103836778
2-fluoro-4,5-dimethoxy-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120824947
methyl 3-[2-(diethylamino)propylsulfamoyl]-4-methylbenzoate
CID 42960032
2,4,5-trifluoro-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120825556
3-(2,3-dihydroxypropylsulfamoyl)-4,5-dimethylbenzoic acid
CID 66169951
5-bromo-4-fluoro-2-methyl-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120824901

Frequently Asked Questions

What is the IUPAC name of methyl 3,4-dimethyl-5-[2-(methylamino)propylsulfamoyl]benzoate;hydrochloride?
The IUPAC name of methyl 3,4-dimethyl-5-[2-(methylamino)propylsulfamoyl]benzoate;hydrochloride (CID 120824543) is methyl 3,4-dimethyl-5-[2-(methylamino)propylsulfamoyl]benzoate;hydrochloride.
What is the SMILES notation for methyl 3,4-dimethyl-5-[2-(methylamino)propylsulfamoyl]benzoate;hydrochloride?
The canonical SMILES for methyl 3,4-dimethyl-5-[2-(methylamino)propylsulfamoyl]benzoate;hydrochloride is CNC(C)CNS(=O)(=O)c1cc(C(=O)OC)cc(C)c1C.Cl.
What is the InChIKey of methyl 3,4-dimethyl-5-[2-(methylamino)propylsulfamoyl]benzoate;hydrochloride?
The InChIKey is JMOIXWJUZKAARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S.ClH/c1-9-6-12(14(17)20-5)7-13(11(9)3)21(18,19)16-8-10(2)15-4;/h6-7,10,15-16H,8H2,1-5H3;1H.
What are the key properties of methyl 3,4-dimethyl-5-[2-(methylamino)propylsulfamoyl]benzoate;hydrochloride?
methyl 3,4-dimethyl-5-[2-(methylamino)propylsulfamoyl]benzoate;hydrochloride has a molecular weight of 350.87 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,4-dimethyl-5-[2-(methylamino)propylsulfamoyl]benzoate;hydrochloride is sourced from PubChem (CID 120824543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).