5-bromo-3-methyl-N-(4-methylsulfanylphenyl)triazole-4-sulfonamide

C10H11BrN4O2S2 — CID 103354457

IUPAC5-bromo-3-methyl-N-(4-methylsulfanylphenyl)triazole-4-sulfonamide
SMILESCSc1ccc(NS(=O)(=O)c2c(Br)nnn2C)cc1
InChIInChI=1S/C10H11BrN4O2S2/c1-15-10(9(11)12-14-15)19(16,17)13-7-3-5-8(18-2)6-4-7/h3-6,13H,1-2H3
InChIKeyODOCGIOBGMQXMM-UHFFFAOYSA-N
MW363.26 g/mol
LogP2.10
Rot. Bonds4

About 5-bromo-3-methyl-N-(4-methylsulfanylphenyl)triazole-4-sulfonamide

5-bromo-3-methyl-N-(4-methylsulfanylphenyl)triazole-4-sulfonamide (PubChem CID 103354457) has the molecular formula C10H11BrN4O2S2 and a molecular weight of 363.26 g/mol. Its IUPAC name is 5-bromo-3-methyl-N-(4-methylsulfanylphenyl)triazole-4-sulfonamide.

Molecular Properties

Compound Name5-bromo-3-methyl-N-(4-methylsulfanylphenyl)triazole-4-sulfonamide
PubChem CID103354457
Molecular FormulaC10H11BrN4O2S2
Molecular Weight363.26 g/mol
Exact Mass361.95
IUPAC Name5-bromo-3-methyl-N-(4-methylsulfanylphenyl)triazole-4-sulfonamide
SMILESCSc1ccc(NS(=O)(=O)c2c(Br)nnn2C)cc1
InChIInChI=1S/C10H11BrN4O2S2/c1-15-10(9(11)12-14-15)19(16,17)13-7-3-5-8(18-2)6-4-7/h3-6,13H,1-2H3
InChIKeyODOCGIOBGMQXMM-UHFFFAOYSA-N
XLogP2.10
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.26
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]-N-methylbenzamide
CID 106467555
5-bromo-N-(3-fluoro-4-hydroxyphenyl)-3-methyltriazole-4-sulfonamide
CID 106466759
5-bromo-3-methyl-N-naphthalen-2-yltriazole-4-sulfonamide
CID 103354389
5-bromo-3-methyl-N-quinoxalin-6-yltriazole-4-sulfonamide
CID 103354478
N-(3-aminophenyl)-5-bromo-3-methyltriazole-4-sulfonamide
CID 106465418
5-bromo-3-methyl-N-(2,4,6-trifluorophenyl)triazole-4-sulfonamide
CID 106468063
5-bromo-N-(3-ethoxyphenyl)-3-methyltriazole-4-sulfonamide
CID 106467435
5-bromo-N-(4-bromo-2-ethylphenyl)-3-methyltriazole-4-sulfonamide
CID 106466685
N-(6-amino-2,3-dimethylphenyl)-5-bromo-3-methyltriazole-4-sulfonamide
CID 106465497
4-bromo-2-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]benzoic acid
CID 106465739
5-bromo-N-[1-(2,6-difluorophenyl)ethyl]-3-methyltriazole-4-sulfonamide
CID 103354519
5-bromo-N-(2-hydroxy-4-methylphenyl)-3-methyltriazole-4-sulfonamide
CID 106466748

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-methyl-N-(4-methylsulfanylphenyl)triazole-4-sulfonamide?
The IUPAC name of 5-bromo-3-methyl-N-(4-methylsulfanylphenyl)triazole-4-sulfonamide (CID 103354457) is 5-bromo-3-methyl-N-(4-methylsulfanylphenyl)triazole-4-sulfonamide.
What is the SMILES notation for 5-bromo-3-methyl-N-(4-methylsulfanylphenyl)triazole-4-sulfonamide?
The canonical SMILES for 5-bromo-3-methyl-N-(4-methylsulfanylphenyl)triazole-4-sulfonamide is CSc1ccc(NS(=O)(=O)c2c(Br)nnn2C)cc1.
What is the InChIKey of 5-bromo-3-methyl-N-(4-methylsulfanylphenyl)triazole-4-sulfonamide?
The InChIKey is ODOCGIOBGMQXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN4O2S2/c1-15-10(9(11)12-14-15)19(16,17)13-7-3-5-8(18-2)6-4-7/h3-6,13H,1-2H3.
What are the key properties of 5-bromo-3-methyl-N-(4-methylsulfanylphenyl)triazole-4-sulfonamide?
5-bromo-3-methyl-N-(4-methylsulfanylphenyl)triazole-4-sulfonamide has a molecular weight of 363.26 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-methyl-N-(4-methylsulfanylphenyl)triazole-4-sulfonamide is sourced from PubChem (CID 103354457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).