5-bromo-N-(2-hydroxy-4-methylphenyl)-3-methyltriazole-4-sulfonamide

C10H11BrN4O3S — CID 106466748

IUPAC5-bromo-N-(2-hydroxy-4-methylphenyl)-3-methyltriazole-4-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2c(Br)nnn2C)c(O)c1
InChIInChI=1S/C10H11BrN4O3S/c1-6-3-4-7(8(16)5-6)13-19(17,18)10-9(11)12-14-15(10)2/h3-5,13,16H,1-2H3
InChIKeyJHJVAUQTLPLIQO-UHFFFAOYSA-N
MW347.19 g/mol
LogP1.39
Rot. Bonds3

About 5-bromo-N-(2-hydroxy-4-methylphenyl)-3-methyltriazole-4-sulfonamide

5-bromo-N-(2-hydroxy-4-methylphenyl)-3-methyltriazole-4-sulfonamide (PubChem CID 106466748) has the molecular formula C10H11BrN4O3S and a molecular weight of 347.19 g/mol. Its IUPAC name is 5-bromo-N-(2-hydroxy-4-methylphenyl)-3-methyltriazole-4-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(2-hydroxy-4-methylphenyl)-3-methyltriazole-4-sulfonamide
PubChem CID106466748
Molecular FormulaC10H11BrN4O3S
Molecular Weight347.19 g/mol
Exact Mass345.97
IUPAC Name5-bromo-N-(2-hydroxy-4-methylphenyl)-3-methyltriazole-4-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2c(Br)nnn2C)c(O)c1
InChIInChI=1S/C10H11BrN4O3S/c1-6-3-4-7(8(16)5-6)13-19(17,18)10-9(11)12-14-15(10)2/h3-5,13,16H,1-2H3
InChIKeyJHJVAUQTLPLIQO-UHFFFAOYSA-N
XLogP1.39
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.19
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]-3-hydroxybenzoic acid
CID 106465733
5-bromo-N-(4-bromo-2-ethylphenyl)-3-methyltriazole-4-sulfonamide
CID 106466685
4-bromo-2-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]benzoic acid
CID 106465739
5-bromo-N-(3-fluoro-4-hydroxyphenyl)-3-methyltriazole-4-sulfonamide
CID 106466759
5-bromo-3-methyl-N-(2-methyl-3-nitrophenyl)triazole-4-sulfonamide
CID 106467579
3-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]-4-chlorobenzenecarbothioamide
CID 106466568
5-bromo-3-methyl-N-(2,4,6-trifluorophenyl)triazole-4-sulfonamide
CID 106468063
5-bromo-3-methyl-N-naphthalen-2-yltriazole-4-sulfonamide
CID 103354389
N-(6-amino-2,3-dimethylphenyl)-5-bromo-3-methyltriazole-4-sulfonamide
CID 106465497
N-(3-aminophenyl)-5-bromo-3-methyltriazole-4-sulfonamide
CID 106465418
N-(2-hydroxy-4-methylphenyl)methanesulfonamide
CID 849290
5-bromo-3-methyl-N-(4-methylsulfanylphenyl)triazole-4-sulfonamide
CID 103354457

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-hydroxy-4-methylphenyl)-3-methyltriazole-4-sulfonamide?
The IUPAC name of 5-bromo-N-(2-hydroxy-4-methylphenyl)-3-methyltriazole-4-sulfonamide (CID 106466748) is 5-bromo-N-(2-hydroxy-4-methylphenyl)-3-methyltriazole-4-sulfonamide.
What is the SMILES notation for 5-bromo-N-(2-hydroxy-4-methylphenyl)-3-methyltriazole-4-sulfonamide?
The canonical SMILES for 5-bromo-N-(2-hydroxy-4-methylphenyl)-3-methyltriazole-4-sulfonamide is Cc1ccc(NS(=O)(=O)c2c(Br)nnn2C)c(O)c1.
What is the InChIKey of 5-bromo-N-(2-hydroxy-4-methylphenyl)-3-methyltriazole-4-sulfonamide?
The InChIKey is JHJVAUQTLPLIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN4O3S/c1-6-3-4-7(8(16)5-6)13-19(17,18)10-9(11)12-14-15(10)2/h3-5,13,16H,1-2H3.
What are the key properties of 5-bromo-N-(2-hydroxy-4-methylphenyl)-3-methyltriazole-4-sulfonamide?
5-bromo-N-(2-hydroxy-4-methylphenyl)-3-methyltriazole-4-sulfonamide has a molecular weight of 347.19 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-hydroxy-4-methylphenyl)-3-methyltriazole-4-sulfonamide is sourced from PubChem (CID 106466748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).