methyl 2-methyl-3-[2-(methylamino)ethylsulfamoyl]benzoate;hydrochloride

C12H19ClN2O4S — CID 119973087

IUPACmethyl 2-methyl-3-[2-(methylamino)ethylsulfamoyl]benzoate;hydrochloride
SMILESCNCCNS(=O)(=O)c1cccc(C(=O)OC)c1C.Cl
InChIInChI=1S/C12H18N2O4S.ClH/c1-9-10(12(15)18-3)5-4-6-11(9)19(16,17)14-8-7-13-2;/h4-6,13-14H,7-8H2,1-3H3;1H
InChIKeyNZYFHMYJPNBPOE-UHFFFAOYSA-N
MW322.81 g/mol
LogP0.70
Rot. Bonds6

About methyl 2-methyl-3-[2-(methylamino)ethylsulfamoyl]benzoate;hydrochloride

methyl 2-methyl-3-[2-(methylamino)ethylsulfamoyl]benzoate;hydrochloride (PubChem CID 119973087) has the molecular formula C12H19ClN2O4S and a molecular weight of 322.81 g/mol. Its IUPAC name is methyl 2-methyl-3-[2-(methylamino)ethylsulfamoyl]benzoate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-methyl-3-[2-(methylamino)ethylsulfamoyl]benzoate;hydrochloride
PubChem CID119973087
Molecular FormulaC12H19ClN2O4S
Molecular Weight322.81 g/mol
Exact Mass322.08
IUPAC Namemethyl 2-methyl-3-[2-(methylamino)ethylsulfamoyl]benzoate;hydrochloride
SMILESCNCCNS(=O)(=O)c1cccc(C(=O)OC)c1C.Cl
InChIInChI=1S/C12H18N2O4S.ClH/c1-9-10(12(15)18-3)5-4-6-11(9)19(16,17)14-8-7-13-2;/h4-6,13-14H,7-8H2,1-3H3;1H
InChIKeyNZYFHMYJPNBPOE-UHFFFAOYSA-N
XLogP0.70
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.81
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 119962127
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methyl 4-fluoro-2-[2-(methylamino)ethylsulfamoyl]benzoate
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methyl 2-(2-aminoethylsulfamoyl)benzoate
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3-(3-methoxypropylsulfamoyl)-2-methylbenzoic acid
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methyl 3-chloro-4-[2-(methylamino)ethylsulfamoyl]benzoate;hydrochloride
CID 119973152
methyl 2-[2-(cyclopropylamino)ethylsulfamoyl]benzoate
CID 62665529
methyl 3-(butylsulfamoyl)-2-iodobenzoate
CID 23205828
methyl 3-[(1-amino-4-methylpentan-2-yl)sulfamoyl]-2-methylbenzoate
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methyl 2-(2-propan-2-yloxyethylsulfamoyl)benzoate
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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-[2-(methylamino)ethylsulfamoyl]benzoate;hydrochloride?
The IUPAC name of methyl 2-methyl-3-[2-(methylamino)ethylsulfamoyl]benzoate;hydrochloride (CID 119973087) is methyl 2-methyl-3-[2-(methylamino)ethylsulfamoyl]benzoate;hydrochloride.
What is the SMILES notation for methyl 2-methyl-3-[2-(methylamino)ethylsulfamoyl]benzoate;hydrochloride?
The canonical SMILES for methyl 2-methyl-3-[2-(methylamino)ethylsulfamoyl]benzoate;hydrochloride is CNCCNS(=O)(=O)c1cccc(C(=O)OC)c1C.Cl.
What is the InChIKey of methyl 2-methyl-3-[2-(methylamino)ethylsulfamoyl]benzoate;hydrochloride?
The InChIKey is NZYFHMYJPNBPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S.ClH/c1-9-10(12(15)18-3)5-4-6-11(9)19(16,17)14-8-7-13-2;/h4-6,13-14H,7-8H2,1-3H3;1H.
What are the key properties of methyl 2-methyl-3-[2-(methylamino)ethylsulfamoyl]benzoate;hydrochloride?
methyl 2-methyl-3-[2-(methylamino)ethylsulfamoyl]benzoate;hydrochloride has a molecular weight of 322.81 g/mol, XLogP of 0.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-[2-(methylamino)ethylsulfamoyl]benzoate;hydrochloride is sourced from PubChem (CID 119973087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).