N-[2-(aminomethyl)phenyl]methanesulfonamide;hydrochloride

C8H13ClN2O2S — CID 42937262

IUPACN-[2-(aminomethyl)phenyl]methanesulfonamide;hydrochloride
SMILESCS(=O)(=O)Nc1ccccc1CN.Cl
InChIInChI=1S/C8H12N2O2S.ClH/c1-13(11,12)10-8-5-3-2-4-7(8)6-9;/h2-5,10H,6,9H2,1H3;1H
InChIKeyNMMHZLYJVBDRMT-UHFFFAOYSA-N
MW236.72 g/mol
LogP0.94
Rot. Bonds3

About N-[2-(aminomethyl)phenyl]methanesulfonamide;hydrochloride

N-[2-(aminomethyl)phenyl]methanesulfonamide;hydrochloride (PubChem CID 42937262) has the molecular formula C8H13ClN2O2S and a molecular weight of 236.72 g/mol. Its IUPAC name is N-[2-(aminomethyl)phenyl]methanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)phenyl]methanesulfonamide;hydrochloride
PubChem CID42937262
Molecular FormulaC8H13ClN2O2S
Molecular Weight236.72 g/mol
Exact Mass236.04
IUPAC NameN-[2-(aminomethyl)phenyl]methanesulfonamide;hydrochloride
SMILESCS(=O)(=O)Nc1ccccc1CN.Cl
InChIInChI=1S/C8H12N2O2S.ClH/c1-13(11,12)10-8-5-3-2-4-7(8)6-9;/h2-5,10H,6,9H2,1H3;1H
InChIKeyNMMHZLYJVBDRMT-UHFFFAOYSA-N
XLogP0.94
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 ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)phenyl]methanesulfonamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)phenyl]methanesulfonamide;hydrochloride (CID 42937262) is N-[2-(aminomethyl)phenyl]methanesulfonamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)phenyl]methanesulfonamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)phenyl]methanesulfonamide;hydrochloride is CS(=O)(=O)Nc1ccccc1CN.Cl.
What is the InChIKey of N-[2-(aminomethyl)phenyl]methanesulfonamide;hydrochloride?
The InChIKey is NMMHZLYJVBDRMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S.ClH/c1-13(11,12)10-8-5-3-2-4-7(8)6-9;/h2-5,10H,6,9H2,1H3;1H.
What are the key properties of N-[2-(aminomethyl)phenyl]methanesulfonamide;hydrochloride?
N-[2-(aminomethyl)phenyl]methanesulfonamide;hydrochloride has a molecular weight of 236.72 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)phenyl]methanesulfonamide;hydrochloride is sourced from PubChem (CID 42937262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).