3-(aminomethyl)-5-cyclopentyl-2-hydroxybenzenesulfonamide;hydrochloride

C12H19ClN2O3S — CID 21296938

IUPAC3-(aminomethyl)-5-cyclopentyl-2-hydroxybenzenesulfonamide;hydrochloride
SMILESCl.NCc1cc(C2CCCC2)cc(S(N)(=O)=O)c1O
InChIInChI=1S/C12H18N2O3S.ClH/c13-7-10-5-9(8-3-1-2-4-8)6-11(12(10)15)18(14,16)17;/h5-6,8,15H,1-4,7,13H2,(H2,14,16,17);1H
InChIKeyJPNLAHLLIMQXTI-UHFFFAOYSA-N
MW306.82 g/mol
LogP1.58
Rot. Bonds3

About 3-(aminomethyl)-5-cyclopentyl-2-hydroxybenzenesulfonamide;hydrochloride

3-(aminomethyl)-5-cyclopentyl-2-hydroxybenzenesulfonamide;hydrochloride (PubChem CID 21296938) has the molecular formula C12H19ClN2O3S and a molecular weight of 306.82 g/mol. Its IUPAC name is 3-(aminomethyl)-5-cyclopentyl-2-hydroxybenzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name3-(aminomethyl)-5-cyclopentyl-2-hydroxybenzenesulfonamide;hydrochloride
PubChem CID21296938
Molecular FormulaC12H19ClN2O3S
Molecular Weight306.82 g/mol
Exact Mass306.08
IUPAC Name3-(aminomethyl)-5-cyclopentyl-2-hydroxybenzenesulfonamide;hydrochloride
SMILESCl.NCc1cc(C2CCCC2)cc(S(N)(=O)=O)c1O
InChIInChI=1S/C12H18N2O3S.ClH/c13-7-10-5-9(8-3-1-2-4-8)6-11(12(10)15)18(14,16)17;/h5-6,8,15H,1-4,7,13H2,(H2,14,16,17);1H
InChIKeyJPNLAHLLIMQXTI-UHFFFAOYSA-N
XLogP1.58
TPSA106.41 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.82
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-5-cyclopentyl-2-hydroxybenzenesulfonamide;hydrochloride?
The IUPAC name of 3-(aminomethyl)-5-cyclopentyl-2-hydroxybenzenesulfonamide;hydrochloride (CID 21296938) is 3-(aminomethyl)-5-cyclopentyl-2-hydroxybenzenesulfonamide;hydrochloride.
What is the SMILES notation for 3-(aminomethyl)-5-cyclopentyl-2-hydroxybenzenesulfonamide;hydrochloride?
The canonical SMILES for 3-(aminomethyl)-5-cyclopentyl-2-hydroxybenzenesulfonamide;hydrochloride is Cl.NCc1cc(C2CCCC2)cc(S(N)(=O)=O)c1O.
What is the InChIKey of 3-(aminomethyl)-5-cyclopentyl-2-hydroxybenzenesulfonamide;hydrochloride?
The InChIKey is JPNLAHLLIMQXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S.ClH/c13-7-10-5-9(8-3-1-2-4-8)6-11(12(10)15)18(14,16)17;/h5-6,8,15H,1-4,7,13H2,(H2,14,16,17);1H.
What are the key properties of 3-(aminomethyl)-5-cyclopentyl-2-hydroxybenzenesulfonamide;hydrochloride?
3-(aminomethyl)-5-cyclopentyl-2-hydroxybenzenesulfonamide;hydrochloride has a molecular weight of 306.82 g/mol, XLogP of 1.58, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-5-cyclopentyl-2-hydroxybenzenesulfonamide;hydrochloride is sourced from PubChem (CID 21296938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).