4-[[(2-hydroxy-5-methoxyphenyl)methylamino]methyl]benzenesulfonamide;hydrochloride

C15H19ClN2O4S — CID 90656462

IUPAC4-[[(2-hydroxy-5-methoxyphenyl)methylamino]methyl]benzenesulfonamide;hydrochloride
SMILESCOc1ccc(O)c(CNCc2ccc(S(N)(=O)=O)cc2)c1.Cl
InChIInChI=1S/C15H18N2O4S.ClH/c1-21-13-4-7-15(18)12(8-13)10-17-9-11-2-5-14(6-3-11)22(16,19)20;/h2-8,17-18H,9-10H2,1H3,(H2,16,19,20);1H
InChIKeyWWOIWWYNYYMRJV-UHFFFAOYSA-N
MW358.85 g/mol
LogP1.76
Rot. Bonds6

About 4-[[(2-hydroxy-5-methoxyphenyl)methylamino]methyl]benzenesulfonamide;hydrochloride

4-[[(2-hydroxy-5-methoxyphenyl)methylamino]methyl]benzenesulfonamide;hydrochloride (PubChem CID 90656462) has the molecular formula C15H19ClN2O4S and a molecular weight of 358.85 g/mol. Its IUPAC name is 4-[[(2-hydroxy-5-methoxyphenyl)methylamino]methyl]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-[[(2-hydroxy-5-methoxyphenyl)methylamino]methyl]benzenesulfonamide;hydrochloride
PubChem CID90656462
Molecular FormulaC15H19ClN2O4S
Molecular Weight358.85 g/mol
Exact Mass358.08
IUPAC Name4-[[(2-hydroxy-5-methoxyphenyl)methylamino]methyl]benzenesulfonamide;hydrochloride
SMILESCOc1ccc(O)c(CNCc2ccc(S(N)(=O)=O)cc2)c1.Cl
InChIInChI=1S/C15H18N2O4S.ClH/c1-21-13-4-7-15(18)12(8-13)10-17-9-11-2-5-14(6-3-11)22(16,19)20;/h2-8,17-18H,9-10H2,1H3,(H2,16,19,20);1H
InChIKeyWWOIWWYNYYMRJV-UHFFFAOYSA-N
XLogP1.76
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.85
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(Benzenesulfonyl)-4-[(2,5-dimethoxyphenyl)methyl]piperazine
CID 1122528
4-[(2-Hydroxy-5-methoxyphenyl)methylamino]benzenesulfonamide
CID 29045530
N,N-dibenzyl-2,5-dimethoxy-4-methylbenzene-1-sulfonamide
CID 39116515
4-[2-[(2-Hydroxyphenyl)methylamino]ethyl]benzenesulfonamide
CID 61580845
4-[2-[(2-Hydroxy-5-methoxyphenyl)methylamino]ethyl]benzenesulfonamide
CID 90656468
4-((2-Hydroxy-5-methoxybenzylideneamino)methyl)benzenesulfonamide
CID 135595335
4-[[(2-Hydroxy-5-methoxyphenyl)methylideneamino]methyl]benzenesulfonamide;hydrochloride
CID 136499038
N-(2-methoxybenzyl)-4-methylbenzenesulfonamide
CID 795253
4-(2-{[2-(Allyloxy)benzyl]amino}ethyl)benzenesulfonamide hydrochloride
CID 2981565
N-[1-[1-(3-methoxyphenyl)ethylamino]-3-phenylpropan-2-yl]-4-methylbenzenesulfonamide;hydrochloride
CID 45260472
4-{[(2-ethoxybenzyl)(ethyl)amino]methyl}-N-methylbenzenesulfonamide
CID 46989515
4-{[(2-methoxybenzyl)(propyl)amino]methyl}-N-methylbenzenesulfonamide
CID 46993961

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-hydroxy-5-methoxyphenyl)methylamino]methyl]benzenesulfonamide;hydrochloride?
The IUPAC name of 4-[[(2-hydroxy-5-methoxyphenyl)methylamino]methyl]benzenesulfonamide;hydrochloride (CID 90656462) is 4-[[(2-hydroxy-5-methoxyphenyl)methylamino]methyl]benzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-[[(2-hydroxy-5-methoxyphenyl)methylamino]methyl]benzenesulfonamide;hydrochloride?
The canonical SMILES for 4-[[(2-hydroxy-5-methoxyphenyl)methylamino]methyl]benzenesulfonamide;hydrochloride is COc1ccc(O)c(CNCc2ccc(S(N)(=O)=O)cc2)c1.Cl.
What is the InChIKey of 4-[[(2-hydroxy-5-methoxyphenyl)methylamino]methyl]benzenesulfonamide;hydrochloride?
The InChIKey is WWOIWWYNYYMRJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4S.ClH/c1-21-13-4-7-15(18)12(8-13)10-17-9-11-2-5-14(6-3-11)22(16,19)20;/h2-8,17-18H,9-10H2,1H3,(H2,16,19,20);1H.
What are the key properties of 4-[[(2-hydroxy-5-methoxyphenyl)methylamino]methyl]benzenesulfonamide;hydrochloride?
4-[[(2-hydroxy-5-methoxyphenyl)methylamino]methyl]benzenesulfonamide;hydrochloride has a molecular weight of 358.85 g/mol, XLogP of 1.76, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-hydroxy-5-methoxyphenyl)methylamino]methyl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 90656462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).