5-ethyl-2-(2-hydroxy-5-methylphenyl)benzotriazole-4-sulfonic acid

C15H15N3O4S — CID 22935695

IUPAC5-ethyl-2-(2-hydroxy-5-methylphenyl)benzotriazole-4-sulfonic acid
SMILESCCc1ccc2nn(-c3cc(C)ccc3O)nc2c1S(=O)(=O)O
InChIInChI=1S/C15H15N3O4S/c1-3-10-5-6-11-14(15(10)23(20,21)22)17-18(16-11)12-8-9(2)4-7-13(12)19/h4-8,19H,3H2,1-2H3,(H,20,21,22)
InChIKeyULGLZNUEZFTTEC-UHFFFAOYSA-N
MW333.37 g/mol
LogP2.24
Rot. Bonds3

About 5-ethyl-2-(2-hydroxy-5-methylphenyl)benzotriazole-4-sulfonic acid

5-ethyl-2-(2-hydroxy-5-methylphenyl)benzotriazole-4-sulfonic acid (PubChem CID 22935695) has the molecular formula C15H15N3O4S and a molecular weight of 333.37 g/mol. Its IUPAC name is 5-ethyl-2-(2-hydroxy-5-methylphenyl)benzotriazole-4-sulfonic acid.

Molecular Properties

Compound Name5-ethyl-2-(2-hydroxy-5-methylphenyl)benzotriazole-4-sulfonic acid
PubChem CID22935695
Molecular FormulaC15H15N3O4S
Molecular Weight333.37 g/mol
Exact Mass333.08
IUPAC Name5-ethyl-2-(2-hydroxy-5-methylphenyl)benzotriazole-4-sulfonic acid
SMILESCCc1ccc2nn(-c3cc(C)ccc3O)nc2c1S(=O)(=O)O
InChIInChI=1S/C15H15N3O4S/c1-3-10-5-6-11-14(15(10)23(20,21)22)17-18(16-11)12-8-9(2)4-7-13(12)19/h4-8,19H,3H2,1-2H3,(H,20,21,22)
InChIKeyULGLZNUEZFTTEC-UHFFFAOYSA-N
XLogP2.24
TPSA105.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

2-(benzotriazol-2-yl)-4-methylphenol;ethane
CID 91212938
4-methyl-2-(triazolo[4,5-f][1,2,3]benzotriazin-2-yl)phenol
CID 175691214
3-(4-ethylbenzotriazol-2-yl)-4-hydroxybenzoic acid
CID 175126102
bis[2,4-dihydroxy-5-(5-methylbenzotriazol-2-yl)phenyl]methanone
CID 102195712
[3-(benzotriazol-2-yl)-4-hydroxyphenyl]methanesulfonic acid
CID 139877706
2-[4-[1-(chloromethyl)benzotriazol-4-yl]benzotriazol-2-yl]-4-methylphenol
CID 175708313
2-(benzotriazol-2-yl)-4,6-bis(2-methylbutan-2-yl)phenol;2-(benzotriazol-2-yl)-4-methylphenol
CID 157340396
5-methyl-2-(5-methylbenzotriazol-2-yl)phenol
CID 54003664
6-hydroxy-5-(5-methylbenzotriazol-2-yl)naphthalene-2-sulfonic acid
CID 102249844
2-(4,6-dimethylbenzotriazol-2-yl)benzene-1,4-diol
CID 135672596
2-[2,5-bis-(4-methylphenyl)sulfonyloxy-4-(8-sulfobenzo[e]benzotriazol-2-yl)phenyl]benzo[e]benzotriazole-8-sulfonic acid
CID 59449330
ethane;2-ethyl-5-methylphenol
CID 142001660

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(2-hydroxy-5-methylphenyl)benzotriazole-4-sulfonic acid?
The IUPAC name of 5-ethyl-2-(2-hydroxy-5-methylphenyl)benzotriazole-4-sulfonic acid (CID 22935695) is 5-ethyl-2-(2-hydroxy-5-methylphenyl)benzotriazole-4-sulfonic acid.
What is the SMILES notation for 5-ethyl-2-(2-hydroxy-5-methylphenyl)benzotriazole-4-sulfonic acid?
The canonical SMILES for 5-ethyl-2-(2-hydroxy-5-methylphenyl)benzotriazole-4-sulfonic acid is CCc1ccc2nn(-c3cc(C)ccc3O)nc2c1S(=O)(=O)O.
What is the InChIKey of 5-ethyl-2-(2-hydroxy-5-methylphenyl)benzotriazole-4-sulfonic acid?
The InChIKey is ULGLZNUEZFTTEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4S/c1-3-10-5-6-11-14(15(10)23(20,21)22)17-18(16-11)12-8-9(2)4-7-13(12)19/h4-8,19H,3H2,1-2H3,(H,20,21,22).
What are the key properties of 5-ethyl-2-(2-hydroxy-5-methylphenyl)benzotriazole-4-sulfonic acid?
5-ethyl-2-(2-hydroxy-5-methylphenyl)benzotriazole-4-sulfonic acid has a molecular weight of 333.37 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(2-hydroxy-5-methylphenyl)benzotriazole-4-sulfonic acid is sourced from PubChem (CID 22935695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).