[4-[(2-hydroxy-5-methylphenyl)methylamino]phenyl]methanesulfonamide

C15H18N2O3S — CID 63324512

IUPAC[4-[(2-hydroxy-5-methylphenyl)methylamino]phenyl]methanesulfonamide
SMILESCc1ccc(O)c(CNc2ccc(CS(N)(=O)=O)cc2)c1
InChIInChI=1S/C15H18N2O3S/c1-11-2-7-15(18)13(8-11)9-17-14-5-3-12(4-6-14)10-21(16,19)20/h2-8,17-18H,9-10H2,1H3,(H2,16,19,20)
InChIKeyJDVJEEHWWZGIJG-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.10
Rot. Bonds5

About [4-[(2-hydroxy-5-methylphenyl)methylamino]phenyl]methanesulfonamide

[4-[(2-hydroxy-5-methylphenyl)methylamino]phenyl]methanesulfonamide (PubChem CID 63324512) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is [4-[(2-hydroxy-5-methylphenyl)methylamino]phenyl]methanesulfonamide.

Molecular Properties

Compound Name[4-[(2-hydroxy-5-methylphenyl)methylamino]phenyl]methanesulfonamide
PubChem CID63324512
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name[4-[(2-hydroxy-5-methylphenyl)methylamino]phenyl]methanesulfonamide
SMILESCc1ccc(O)c(CNc2ccc(CS(N)(=O)=O)cc2)c1
InChIInChI=1S/C15H18N2O3S/c1-11-2-7-15(18)13(8-11)9-17-14-5-3-12(4-6-14)10-21(16,19)20/h2-8,17-18H,9-10H2,1H3,(H2,16,19,20)
InChIKeyJDVJEEHWWZGIJG-UHFFFAOYSA-N
XLogP2.10
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.10
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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Related Compounds

[4-[(5-fluoro-2-hydroxyphenyl)methylamino]phenyl]methanesulfonamide
CID 107694380
4-methyl-2-[(4-methylsulfonylanilino)methyl]phenol
CID 63323424
2-[(4-hydroxyanilino)methyl]-4-methylphenol
CID 55205511
[4-[(2-ethylphenyl)methylamino]phenyl]methanesulfonamide
CID 62391957
2-[(4-butylanilino)methyl]-4-methylphenol
CID 63326661
methyl 4-[(2-hydroxy-5-methylphenyl)methylamino]benzoate
CID 63326548
2-[(3,4-dimethylanilino)methyl]-4-methylphenol
CID 63323211
2-[[4-(diethylamino)anilino]methyl]-4-methylphenol
CID 63326694
2-[[(6-bromo-3-pyridinyl)amino]methyl]-4-methylphenol
CID 103934339
[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]phenyl]methanesulfonamide
CID 43745275
[4-(ethylamino)phenyl]methanesulfonamide
CID 43745283
2-bromo-4-[(4-methylanilino)methyl]phenol
CID 55025634

Frequently Asked Questions

What is the IUPAC name of [4-[(2-hydroxy-5-methylphenyl)methylamino]phenyl]methanesulfonamide?
The IUPAC name of [4-[(2-hydroxy-5-methylphenyl)methylamino]phenyl]methanesulfonamide (CID 63324512) is [4-[(2-hydroxy-5-methylphenyl)methylamino]phenyl]methanesulfonamide.
What is the SMILES notation for [4-[(2-hydroxy-5-methylphenyl)methylamino]phenyl]methanesulfonamide?
The canonical SMILES for [4-[(2-hydroxy-5-methylphenyl)methylamino]phenyl]methanesulfonamide is Cc1ccc(O)c(CNc2ccc(CS(N)(=O)=O)cc2)c1.
What is the InChIKey of [4-[(2-hydroxy-5-methylphenyl)methylamino]phenyl]methanesulfonamide?
The InChIKey is JDVJEEHWWZGIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-11-2-7-15(18)13(8-11)9-17-14-5-3-12(4-6-14)10-21(16,19)20/h2-8,17-18H,9-10H2,1H3,(H2,16,19,20).
What are the key properties of [4-[(2-hydroxy-5-methylphenyl)methylamino]phenyl]methanesulfonamide?
[4-[(2-hydroxy-5-methylphenyl)methylamino]phenyl]methanesulfonamide has a molecular weight of 306.39 g/mol, XLogP of 2.10, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-hydroxy-5-methylphenyl)methylamino]phenyl]methanesulfonamide is sourced from PubChem (CID 63324512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).