2-(methylaminomethyl)benzenesulfonamide;hydrochloride

C8H13ClN2O2S — CID 119032038

IUPAC2-(methylaminomethyl)benzenesulfonamide;hydrochloride
SMILESCNCc1ccccc1S(N)(=O)=O.Cl
InChIInChI=1S/C8H12N2O2S.ClH/c1-10-6-7-4-2-3-5-8(7)13(9,11)12;/h2-5,10H,6H2,1H3,(H2,9,11,12);1H
InChIKeyZWAXNRKCMOKBFV-UHFFFAOYSA-N
MW236.72 g/mol
LogP0.48
Rot. Bonds3

About 2-(methylaminomethyl)benzenesulfonamide;hydrochloride

2-(methylaminomethyl)benzenesulfonamide;hydrochloride (PubChem CID 119032038) has the molecular formula C8H13ClN2O2S and a molecular weight of 236.72 g/mol. Its IUPAC name is 2-(methylaminomethyl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name2-(methylaminomethyl)benzenesulfonamide;hydrochloride
PubChem CID119032038
Molecular FormulaC8H13ClN2O2S
Molecular Weight236.72 g/mol
Exact Mass236.04
IUPAC Name2-(methylaminomethyl)benzenesulfonamide;hydrochloride
SMILESCNCc1ccccc1S(N)(=O)=O.Cl
InChIInChI=1S/C8H12N2O2S.ClH/c1-10-6-7-4-2-3-5-8(7)13(9,11)12;/h2-5,10H,6H2,1H3,(H2,9,11,12);1H
InChIKeyZWAXNRKCMOKBFV-UHFFFAOYSA-N
XLogP0.48
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.72
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(methylaminomethyl)benzenesulfonamide;hydrochloride?
The IUPAC name of 2-(methylaminomethyl)benzenesulfonamide;hydrochloride (CID 119032038) is 2-(methylaminomethyl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for 2-(methylaminomethyl)benzenesulfonamide;hydrochloride?
The canonical SMILES for 2-(methylaminomethyl)benzenesulfonamide;hydrochloride is CNCc1ccccc1S(N)(=O)=O.Cl.
What is the InChIKey of 2-(methylaminomethyl)benzenesulfonamide;hydrochloride?
The InChIKey is ZWAXNRKCMOKBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S.ClH/c1-10-6-7-4-2-3-5-8(7)13(9,11)12;/h2-5,10H,6H2,1H3,(H2,9,11,12);1H.
What are the key properties of 2-(methylaminomethyl)benzenesulfonamide;hydrochloride?
2-(methylaminomethyl)benzenesulfonamide;hydrochloride has a molecular weight of 236.72 g/mol, XLogP of 0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylaminomethyl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 119032038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).