4-[(2-hydroxy-3-methylphenyl)methylamino]benzenesulfonamide

C14H16N2O3S — CID 115950959

IUPAC4-[(2-hydroxy-3-methylphenyl)methylamino]benzenesulfonamide
SMILESCc1cccc(CNc2ccc(S(N)(=O)=O)cc2)c1O
InChIInChI=1S/C14H16N2O3S/c1-10-3-2-4-11(14(10)17)9-16-12-5-7-13(8-6-12)20(15,18)19/h2-8,16-17H,9H2,1H3,(H2,15,18,19)
InChIKeyDJMASVGBPFTKRS-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.96
Rot. Bonds4

About 4-[(2-hydroxy-3-methylphenyl)methylamino]benzenesulfonamide

4-[(2-hydroxy-3-methylphenyl)methylamino]benzenesulfonamide (PubChem CID 115950959) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is 4-[(2-hydroxy-3-methylphenyl)methylamino]benzenesulfonamide.

Molecular Properties

Compound Name4-[(2-hydroxy-3-methylphenyl)methylamino]benzenesulfonamide
PubChem CID115950959
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name4-[(2-hydroxy-3-methylphenyl)methylamino]benzenesulfonamide
SMILESCc1cccc(CNc2ccc(S(N)(=O)=O)cc2)c1O
InChIInChI=1S/C14H16N2O3S/c1-10-3-2-4-11(14(10)17)9-16-12-5-7-13(8-6-12)20(15,18)19/h2-8,16-17H,9H2,1H3,(H2,15,18,19)
InChIKeyDJMASVGBPFTKRS-UHFFFAOYSA-N
XLogP1.96
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.96
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

2,3,5,6-Tetrafluoro-4-[2-(4-hydroxyphenyl)ethylamino]benzenesulfonamide
CID 71584330
N-(4-Hydroxy-3-piperidin-1-ylmethyl-phenyl)-benzenesulfonamide
CID 655266
4-[(2-Hydroxyphenyl)methylamino]benzenesulfonamide
CID 2755728
4-[(5-Chloro-2-hydroxybenzyl)amino]benzenesulfonamide
CID 29034199
4-[(3-Chloro-2-hydroxyphenyl)methylamino]benzenesulfonamide
CID 115950960
N-(2,6-diethylphenyl)-4-hydroxy-3-methyl-N-propylbenzenesulfonamide
CID 11610210
4-[(4-Hydroxyphenyl)methylamino]benzenesulfonamide
CID 28452155
4-[(2-Hydroxy-5-methoxyphenyl)methylamino]benzenesulfonamide
CID 29045530
N-(2,6-dimethylphenyl)-4-hydroxy-3-methyl-N-propylbenzenesulfonamide
CID 44407585
N-(2-ethyl-6-methylphenyl)-4-hydroxy-3-methyl-N-propylbenzenesulfonamide
CID 44407586
N-ethyl-4-hydroxy-3-methyl-N-phenylbenzenesulfonamide
CID 44407724
4-hydroxy-3-methyl-N-propyl-N-o-tolylbenzenesulfonamide
CID 44407805

Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxy-3-methylphenyl)methylamino]benzenesulfonamide?
The IUPAC name of 4-[(2-hydroxy-3-methylphenyl)methylamino]benzenesulfonamide (CID 115950959) is 4-[(2-hydroxy-3-methylphenyl)methylamino]benzenesulfonamide.
What is the SMILES notation for 4-[(2-hydroxy-3-methylphenyl)methylamino]benzenesulfonamide?
The canonical SMILES for 4-[(2-hydroxy-3-methylphenyl)methylamino]benzenesulfonamide is Cc1cccc(CNc2ccc(S(N)(=O)=O)cc2)c1O.
What is the InChIKey of 4-[(2-hydroxy-3-methylphenyl)methylamino]benzenesulfonamide?
The InChIKey is DJMASVGBPFTKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-10-3-2-4-11(14(10)17)9-16-12-5-7-13(8-6-12)20(15,18)19/h2-8,16-17H,9H2,1H3,(H2,15,18,19).
What are the key properties of 4-[(2-hydroxy-3-methylphenyl)methylamino]benzenesulfonamide?
4-[(2-hydroxy-3-methylphenyl)methylamino]benzenesulfonamide has a molecular weight of 292.36 g/mol, XLogP of 1.96, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxy-3-methylphenyl)methylamino]benzenesulfonamide is sourced from PubChem (CID 115950959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).