methyl 3-chloro-4-[2-(methylamino)ethylsulfamoyl]benzoate;hydrochloride

C11H16Cl2N2O4S — CID 119973152

IUPACmethyl 3-chloro-4-[2-(methylamino)ethylsulfamoyl]benzoate;hydrochloride
SMILESCNCCNS(=O)(=O)c1ccc(C(=O)OC)cc1Cl.Cl
InChIInChI=1S/C11H15ClN2O4S.ClH/c1-13-5-6-14-19(16,17)10-4-3-8(7-9(10)12)11(15)18-2;/h3-4,7,13-14H,5-6H2,1-2H3;1H
InChIKeySDFVIUPSMSGPLM-UHFFFAOYSA-N
MW343.23 g/mol
LogP1.05
Rot. Bonds6

About methyl 3-chloro-4-[2-(methylamino)ethylsulfamoyl]benzoate;hydrochloride

methyl 3-chloro-4-[2-(methylamino)ethylsulfamoyl]benzoate;hydrochloride (PubChem CID 119973152) has the molecular formula C11H16Cl2N2O4S and a molecular weight of 343.23 g/mol. Its IUPAC name is methyl 3-chloro-4-[2-(methylamino)ethylsulfamoyl]benzoate;hydrochloride.

Molecular Properties

Compound Namemethyl 3-chloro-4-[2-(methylamino)ethylsulfamoyl]benzoate;hydrochloride
PubChem CID119973152
Molecular FormulaC11H16Cl2N2O4S
Molecular Weight343.23 g/mol
Exact Mass342.02
IUPAC Namemethyl 3-chloro-4-[2-(methylamino)ethylsulfamoyl]benzoate;hydrochloride
SMILESCNCCNS(=O)(=O)c1ccc(C(=O)OC)cc1Cl.Cl
InChIInChI=1S/C11H15ClN2O4S.ClH/c1-13-5-6-14-19(16,17)10-4-3-8(7-9(10)12)11(15)18-2;/h3-4,7,13-14H,5-6H2,1-2H3;1H
InChIKeySDFVIUPSMSGPLM-UHFFFAOYSA-N
XLogP1.05
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.23
LogP ≤ 51.05
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

methyl 3-chloro-4-[2-(propylamino)ethylsulfamoyl]benzoate
CID 120716497
methyl 4-(3-aminopropylsulfamoyl)-3-chlorobenzoate
CID 119962169
methyl 3-chloro-4-[(5-methyl-1,2-oxazol-3-yl)methylsulfamoyl]benzoate
CID 51107350
methyl 3-chloro-4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoate
CID 94812444
methyl 3-chloro-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzoate
CID 94812443
methyl 3-chloro-4-[(4-methylphenyl)sulfamoyl]benzoate
CID 60621362
methyl 3-methyl-4-[2-(propylamino)ethylsulfamoyl]benzoate;hydrochloride
CID 120716326
methyl 3-chloro-4-(dimethylsulfamoyl)benzoate
CID 52857534
methyl 4-[(1-amino-4-methylpentan-2-yl)sulfamoyl]-3-chlorobenzoate
CID 119983276
methyl 2-methyl-3-[2-(methylamino)ethylsulfamoyl]benzoate;hydrochloride
CID 119973087
methyl 3-chloro-4-(oxan-3-ylmethylsulfamoyl)benzoate
CID 51107342
methyl 4-fluoro-2-[2-(methylamino)ethylsulfamoyl]benzoate
CID 119973384

Frequently Asked Questions

What is the IUPAC name of methyl 3-chloro-4-[2-(methylamino)ethylsulfamoyl]benzoate;hydrochloride?
The IUPAC name of methyl 3-chloro-4-[2-(methylamino)ethylsulfamoyl]benzoate;hydrochloride (CID 119973152) is methyl 3-chloro-4-[2-(methylamino)ethylsulfamoyl]benzoate;hydrochloride.
What is the SMILES notation for methyl 3-chloro-4-[2-(methylamino)ethylsulfamoyl]benzoate;hydrochloride?
The canonical SMILES for methyl 3-chloro-4-[2-(methylamino)ethylsulfamoyl]benzoate;hydrochloride is CNCCNS(=O)(=O)c1ccc(C(=O)OC)cc1Cl.Cl.
What is the InChIKey of methyl 3-chloro-4-[2-(methylamino)ethylsulfamoyl]benzoate;hydrochloride?
The InChIKey is SDFVIUPSMSGPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O4S.ClH/c1-13-5-6-14-19(16,17)10-4-3-8(7-9(10)12)11(15)18-2;/h3-4,7,13-14H,5-6H2,1-2H3;1H.
What are the key properties of methyl 3-chloro-4-[2-(methylamino)ethylsulfamoyl]benzoate;hydrochloride?
methyl 3-chloro-4-[2-(methylamino)ethylsulfamoyl]benzoate;hydrochloride has a molecular weight of 343.23 g/mol, XLogP of 1.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-chloro-4-[2-(methylamino)ethylsulfamoyl]benzoate;hydrochloride is sourced from PubChem (CID 119973152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).