4-[[(4-hydroxyphenyl)methylamino]methyl]benzenesulfonamide;hydrochloride

C14H17ClN2O3S — CID 90656461

IUPAC4-[[(4-hydroxyphenyl)methylamino]methyl]benzenesulfonamide;hydrochloride
SMILESCl.NS(=O)(=O)c1ccc(CNCc2ccc(O)cc2)cc1
InChIInChI=1S/C14H16N2O3S.ClH/c15-20(18,19)14-7-3-12(4-8-14)10-16-9-11-1-5-13(17)6-2-11;/h1-8,16-17H,9-10H2,(H2,15,18,19);1H
InChIKeyRQCSATAODOVSEI-UHFFFAOYSA-N
MW328.82 g/mol
LogP1.75
Rot. Bonds5

About 4-[[(4-hydroxyphenyl)methylamino]methyl]benzenesulfonamide;hydrochloride

4-[[(4-hydroxyphenyl)methylamino]methyl]benzenesulfonamide;hydrochloride (PubChem CID 90656461) has the molecular formula C14H17ClN2O3S and a molecular weight of 328.82 g/mol. Its IUPAC name is 4-[[(4-hydroxyphenyl)methylamino]methyl]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-[[(4-hydroxyphenyl)methylamino]methyl]benzenesulfonamide;hydrochloride
PubChem CID90656461
Molecular FormulaC14H17ClN2O3S
Molecular Weight328.82 g/mol
Exact Mass328.06
IUPAC Name4-[[(4-hydroxyphenyl)methylamino]methyl]benzenesulfonamide;hydrochloride
SMILESCl.NS(=O)(=O)c1ccc(CNCc2ccc(O)cc2)cc1
InChIInChI=1S/C14H16N2O3S.ClH/c15-20(18,19)14-7-3-12(4-8-14)10-16-9-11-1-5-13(17)6-2-11;/h1-8,16-17H,9-10H2,(H2,15,18,19);1H
InChIKeyRQCSATAODOVSEI-UHFFFAOYSA-N
XLogP1.75
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.82
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[(4-hydroxyphenyl)methylamino]methyl]benzenesulfonamide;hydrochloride?
The IUPAC name of 4-[[(4-hydroxyphenyl)methylamino]methyl]benzenesulfonamide;hydrochloride (CID 90656461) is 4-[[(4-hydroxyphenyl)methylamino]methyl]benzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-[[(4-hydroxyphenyl)methylamino]methyl]benzenesulfonamide;hydrochloride?
The canonical SMILES for 4-[[(4-hydroxyphenyl)methylamino]methyl]benzenesulfonamide;hydrochloride is Cl.NS(=O)(=O)c1ccc(CNCc2ccc(O)cc2)cc1.
What is the InChIKey of 4-[[(4-hydroxyphenyl)methylamino]methyl]benzenesulfonamide;hydrochloride?
The InChIKey is RQCSATAODOVSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S.ClH/c15-20(18,19)14-7-3-12(4-8-14)10-16-9-11-1-5-13(17)6-2-11;/h1-8,16-17H,9-10H2,(H2,15,18,19);1H.
What are the key properties of 4-[[(4-hydroxyphenyl)methylamino]methyl]benzenesulfonamide;hydrochloride?
4-[[(4-hydroxyphenyl)methylamino]methyl]benzenesulfonamide;hydrochloride has a molecular weight of 328.82 g/mol, XLogP of 1.75, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-hydroxyphenyl)methylamino]methyl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 90656461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).