methyl 5-methyl-2-[2-(methylamino)propylsulfamoyl]benzoate;hydrochloride

C13H21ClN2O4S — CID 120824725

IUPACmethyl 5-methyl-2-[2-(methylamino)propylsulfamoyl]benzoate;hydrochloride
SMILESCNC(C)CNS(=O)(=O)c1ccc(C)cc1C(=O)OC.Cl
InChIInChI=1S/C13H20N2O4S.ClH/c1-9-5-6-12(11(7-9)13(16)19-4)20(17,18)15-8-10(2)14-3;/h5-7,10,14-15H,8H2,1-4H3;1H
InChIKeyGJYAJGGTESNDGX-UHFFFAOYSA-N
MW336.84 g/mol
LogP1.09
Rot. Bonds6

About methyl 5-methyl-2-[2-(methylamino)propylsulfamoyl]benzoate;hydrochloride

methyl 5-methyl-2-[2-(methylamino)propylsulfamoyl]benzoate;hydrochloride (PubChem CID 120824725) has the molecular formula C13H21ClN2O4S and a molecular weight of 336.84 g/mol. Its IUPAC name is methyl 5-methyl-2-[2-(methylamino)propylsulfamoyl]benzoate;hydrochloride.

Molecular Properties

Compound Namemethyl 5-methyl-2-[2-(methylamino)propylsulfamoyl]benzoate;hydrochloride
PubChem CID120824725
Molecular FormulaC13H21ClN2O4S
Molecular Weight336.84 g/mol
Exact Mass336.09
IUPAC Namemethyl 5-methyl-2-[2-(methylamino)propylsulfamoyl]benzoate;hydrochloride
SMILESCNC(C)CNS(=O)(=O)c1ccc(C)cc1C(=O)OC.Cl
InChIInChI=1S/C13H20N2O4S.ClH/c1-9-5-6-12(11(7-9)13(16)19-4)20(17,18)15-8-10(2)14-3;/h5-7,10,14-15H,8H2,1-4H3;1H
InChIKeyGJYAJGGTESNDGX-UHFFFAOYSA-N
XLogP1.09
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.84
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3,4-dimethyl-5-[2-(methylamino)propylsulfamoyl]benzoate;hydrochloride
CID 120824543
methyl 2-fluoro-6-[2-(methylamino)propylsulfamoyl]benzoate
CID 120825283
2,4-dibromo-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120824508
2-fluoro-4-methoxy-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120824888
3-[(2,4-dimethylphenyl)sulfonylamino]-2-methoxypropanoic acid
CID 104936827
methyl 5-[2-(methylamino)propylsulfamoyl]isoquinoline-1-carboxylate;hydrochloride
CID 120825306
2,5-difluoro-4-methyl-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120825289
2-fluoro-4,5-dimethoxy-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120824947
5-chloro-2-methoxy-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120824319
5-bromo-2-methoxy-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120824611
2,4,5-trifluoro-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120825556
methyl 4-amino-2-(2-methylpropylsulfamoyl)benzoate
CID 102930746

Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-2-[2-(methylamino)propylsulfamoyl]benzoate;hydrochloride?
The IUPAC name of methyl 5-methyl-2-[2-(methylamino)propylsulfamoyl]benzoate;hydrochloride (CID 120824725) is methyl 5-methyl-2-[2-(methylamino)propylsulfamoyl]benzoate;hydrochloride.
What is the SMILES notation for methyl 5-methyl-2-[2-(methylamino)propylsulfamoyl]benzoate;hydrochloride?
The canonical SMILES for methyl 5-methyl-2-[2-(methylamino)propylsulfamoyl]benzoate;hydrochloride is CNC(C)CNS(=O)(=O)c1ccc(C)cc1C(=O)OC.Cl.
What is the InChIKey of methyl 5-methyl-2-[2-(methylamino)propylsulfamoyl]benzoate;hydrochloride?
The InChIKey is GJYAJGGTESNDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S.ClH/c1-9-5-6-12(11(7-9)13(16)19-4)20(17,18)15-8-10(2)14-3;/h5-7,10,14-15H,8H2,1-4H3;1H.
What are the key properties of methyl 5-methyl-2-[2-(methylamino)propylsulfamoyl]benzoate;hydrochloride?
methyl 5-methyl-2-[2-(methylamino)propylsulfamoyl]benzoate;hydrochloride has a molecular weight of 336.84 g/mol, XLogP of 1.09, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-2-[2-(methylamino)propylsulfamoyl]benzoate;hydrochloride is sourced from PubChem (CID 120824725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).