3-(methylamino)benzenesulfonamide;hydrochloride

C7H11ClN2O2S — CID 155973731

IUPAC3-(methylamino)benzenesulfonamide;hydrochloride
SMILESCNc1cccc(S(N)(=O)=O)c1.Cl
InChIInChI=1S/C7H10N2O2S.ClH/c1-9-6-3-2-4-7(5-6)12(8,10)11;/h2-5,9H,1H3,(H2,8,10,11);1H
InChIKeyPJOMSHZUMHYVTK-UHFFFAOYSA-N
MW222.70 g/mol
LogP0.80
Rot. Bonds2

About 3-(methylamino)benzenesulfonamide;hydrochloride

3-(methylamino)benzenesulfonamide;hydrochloride (PubChem CID 155973731) has the molecular formula C7H11ClN2O2S and a molecular weight of 222.70 g/mol. Its IUPAC name is 3-(methylamino)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name3-(methylamino)benzenesulfonamide;hydrochloride
PubChem CID155973731
Molecular FormulaC7H11ClN2O2S
Molecular Weight222.70 g/mol
Exact Mass222.02
IUPAC Name3-(methylamino)benzenesulfonamide;hydrochloride
SMILESCNc1cccc(S(N)(=O)=O)c1.Cl
InChIInChI=1S/C7H10N2O2S.ClH/c1-9-6-3-2-4-7(5-6)12(8,10)11;/h2-5,9H,1H3,(H2,8,10,11);1H
InChIKeyPJOMSHZUMHYVTK-UHFFFAOYSA-N
XLogP0.80
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.70
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)benzenesulfonamide;hydrochloride?
The IUPAC name of 3-(methylamino)benzenesulfonamide;hydrochloride (CID 155973731) is 3-(methylamino)benzenesulfonamide;hydrochloride.
What is the SMILES notation for 3-(methylamino)benzenesulfonamide;hydrochloride?
The canonical SMILES for 3-(methylamino)benzenesulfonamide;hydrochloride is CNc1cccc(S(N)(=O)=O)c1.Cl.
What is the InChIKey of 3-(methylamino)benzenesulfonamide;hydrochloride?
The InChIKey is PJOMSHZUMHYVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S.ClH/c1-9-6-3-2-4-7(5-6)12(8,10)11;/h2-5,9H,1H3,(H2,8,10,11);1H.
What are the key properties of 3-(methylamino)benzenesulfonamide;hydrochloride?
3-(methylamino)benzenesulfonamide;hydrochloride has a molecular weight of 222.70 g/mol, XLogP of 0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 155973731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).