2-methylsulfonylaniline;hydrochloride

C7H10ClNO2S — CID 2735177

IUPAC2-methylsulfonylaniline;hydrochloride
SMILESCS(=O)(=O)c1ccccc1N.Cl
InChIInChI=1S/C7H9NO2S.ClH/c1-11(9,10)7-5-3-2-4-6(7)8;/h2-5H,8H2,1H3;1H
InChIKeyMEUQLZQZRWBBHV-UHFFFAOYSA-N
MW207.68 g/mol
LogP1.09
Rot. Bonds1

About 2-methylsulfonylaniline;hydrochloride

2-methylsulfonylaniline;hydrochloride (PubChem CID 2735177) has the molecular formula C7H10ClNO2S and a molecular weight of 207.68 g/mol. Its IUPAC name is 2-methylsulfonylaniline;hydrochloride.

Molecular Properties

Compound Name2-methylsulfonylaniline;hydrochloride
PubChem CID2735177
Molecular FormulaC7H10ClNO2S
Molecular Weight207.68 g/mol
Exact Mass207.01
IUPAC Name2-methylsulfonylaniline;hydrochloride
SMILESCS(=O)(=O)c1ccccc1N.Cl
InChIInChI=1S/C7H9NO2S.ClH/c1-11(9,10)7-5-3-2-4-6(7)8;/h2-5H,8H2,1H3;1H
InChIKeyMEUQLZQZRWBBHV-UHFFFAOYSA-N
XLogP1.09
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.68
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonylaniline;hydrochloride?
The IUPAC name of 2-methylsulfonylaniline;hydrochloride (CID 2735177) is 2-methylsulfonylaniline;hydrochloride.
What is the SMILES notation for 2-methylsulfonylaniline;hydrochloride?
The canonical SMILES for 2-methylsulfonylaniline;hydrochloride is CS(=O)(=O)c1ccccc1N.Cl.
What is the InChIKey of 2-methylsulfonylaniline;hydrochloride?
The InChIKey is MEUQLZQZRWBBHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2S.ClH/c1-11(9,10)7-5-3-2-4-6(7)8;/h2-5H,8H2,1H3;1H.
What are the key properties of 2-methylsulfonylaniline;hydrochloride?
2-methylsulfonylaniline;hydrochloride has a molecular weight of 207.68 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonylaniline;hydrochloride is sourced from PubChem (CID 2735177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).