3-(aminomethyl)benzenesulfonamide;hydrochloride

C7H11ClN2O2S — CID 42941915

IUPAC3-(aminomethyl)benzenesulfonamide;hydrochloride
SMILESCl.NCc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C7H10N2O2S.ClH/c8-5-6-2-1-3-7(4-6)12(9,10)11;/h1-4H,5,8H2,(H2,9,10,11);1H
InChIKeyCMDWAIOSJPELDH-UHFFFAOYSA-N
MW222.70 g/mol
LogP0.21
Rot. Bonds2

About 3-(aminomethyl)benzenesulfonamide;hydrochloride

3-(aminomethyl)benzenesulfonamide;hydrochloride (PubChem CID 42941915) has the molecular formula C7H11ClN2O2S and a molecular weight of 222.70 g/mol. Its IUPAC name is 3-(aminomethyl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name3-(aminomethyl)benzenesulfonamide;hydrochloride
PubChem CID42941915
Molecular FormulaC7H11ClN2O2S
Molecular Weight222.70 g/mol
Exact Mass222.02
IUPAC Name3-(aminomethyl)benzenesulfonamide;hydrochloride
SMILESCl.NCc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C7H10N2O2S.ClH/c8-5-6-2-1-3-7(4-6)12(9,10)11;/h1-4H,5,8H2,(H2,9,10,11);1H
InChIKeyCMDWAIOSJPELDH-UHFFFAOYSA-N
XLogP0.21
TPSA86.18 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 ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)benzenesulfonamide;hydrochloride?
The IUPAC name of 3-(aminomethyl)benzenesulfonamide;hydrochloride (CID 42941915) is 3-(aminomethyl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for 3-(aminomethyl)benzenesulfonamide;hydrochloride?
The canonical SMILES for 3-(aminomethyl)benzenesulfonamide;hydrochloride is Cl.NCc1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 3-(aminomethyl)benzenesulfonamide;hydrochloride?
The InChIKey is CMDWAIOSJPELDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S.ClH/c8-5-6-2-1-3-7(4-6)12(9,10)11;/h1-4H,5,8H2,(H2,9,10,11);1H.
What are the key properties of 3-(aminomethyl)benzenesulfonamide;hydrochloride?
3-(aminomethyl)benzenesulfonamide;hydrochloride has a molecular weight of 222.70 g/mol, XLogP of 0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 42941915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).