4-[(4-hydroxyphenyl)methyliminomethyl]benzenesulfonamide;hydrochloride

C14H15ClN2O3S — CID 90656459

IUPAC4-[(4-hydroxyphenyl)methyliminomethyl]benzenesulfonamide;hydrochloride
SMILESCl.NS(=O)(=O)c1ccc(/C=N/Cc2ccc(O)cc2)cc1
InChIInChI=1S/C14H14N2O3S.ClH/c15-20(18,19)14-7-3-12(4-8-14)10-16-9-11-1-5-13(17)6-2-11;/h1-8,10,17H,9H2,(H2,15,18,19);1H/b16-10+;
InChIKeyFIHXAUOAAZQGQQ-QFHYWFJHSA-N
MW326.81 g/mol
LogP2.08
Rot. Bonds4

About 4-[(4-hydroxyphenyl)methyliminomethyl]benzenesulfonamide;hydrochloride

4-[(4-hydroxyphenyl)methyliminomethyl]benzenesulfonamide;hydrochloride (PubChem CID 90656459) has the molecular formula C14H15ClN2O3S and a molecular weight of 326.81 g/mol. Its IUPAC name is 4-[(4-hydroxyphenyl)methyliminomethyl]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-[(4-hydroxyphenyl)methyliminomethyl]benzenesulfonamide;hydrochloride
PubChem CID90656459
Molecular FormulaC14H15ClN2O3S
Molecular Weight326.81 g/mol
Exact Mass326.05
IUPAC Name4-[(4-hydroxyphenyl)methyliminomethyl]benzenesulfonamide;hydrochloride
SMILESCl.NS(=O)(=O)c1ccc(/C=N/Cc2ccc(O)cc2)cc1
InChIInChI=1S/C14H14N2O3S.ClH/c15-20(18,19)14-7-3-12(4-8-14)10-16-9-11-1-5-13(17)6-2-11;/h1-8,10,17H,9H2,(H2,15,18,19);1H/b16-10+;
InChIKeyFIHXAUOAAZQGQQ-QFHYWFJHSA-N
XLogP2.08
TPSA92.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.81
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxyphenyl)methyliminomethyl]benzenesulfonamide;hydrochloride?
The IUPAC name of 4-[(4-hydroxyphenyl)methyliminomethyl]benzenesulfonamide;hydrochloride (CID 90656459) is 4-[(4-hydroxyphenyl)methyliminomethyl]benzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-[(4-hydroxyphenyl)methyliminomethyl]benzenesulfonamide;hydrochloride?
The canonical SMILES for 4-[(4-hydroxyphenyl)methyliminomethyl]benzenesulfonamide;hydrochloride is Cl.NS(=O)(=O)c1ccc(/C=N/Cc2ccc(O)cc2)cc1.
What is the InChIKey of 4-[(4-hydroxyphenyl)methyliminomethyl]benzenesulfonamide;hydrochloride?
The InChIKey is FIHXAUOAAZQGQQ-QFHYWFJHSA-N. The full InChI is InChI=1S/C14H14N2O3S.ClH/c15-20(18,19)14-7-3-12(4-8-14)10-16-9-11-1-5-13(17)6-2-11;/h1-8,10,17H,9H2,(H2,15,18,19);1H/b16-10+;.
What are the key properties of 4-[(4-hydroxyphenyl)methyliminomethyl]benzenesulfonamide;hydrochloride?
4-[(4-hydroxyphenyl)methyliminomethyl]benzenesulfonamide;hydrochloride has a molecular weight of 326.81 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxyphenyl)methyliminomethyl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 90656459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).