5-bromo-3-methyl-N-naphthalen-2-yltriazole-4-sulfonamide

C13H11BrN4O2S — CID 103354389

IUPAC5-bromo-3-methyl-N-naphthalen-2-yltriazole-4-sulfonamide
SMILESCn1nnc(Br)c1S(=O)(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C13H11BrN4O2S/c1-18-13(12(14)15-17-18)21(19,20)16-11-7-6-9-4-2-3-5-10(9)8-11/h2-8,16H,1H3
InChIKeyXNMMPCSUYBFOFU-UHFFFAOYSA-N
MW367.23 g/mol
LogP2.53
Rot. Bonds3

About 5-bromo-3-methyl-N-naphthalen-2-yltriazole-4-sulfonamide

5-bromo-3-methyl-N-naphthalen-2-yltriazole-4-sulfonamide (PubChem CID 103354389) has the molecular formula C13H11BrN4O2S and a molecular weight of 367.23 g/mol. Its IUPAC name is 5-bromo-3-methyl-N-naphthalen-2-yltriazole-4-sulfonamide.

Molecular Properties

Compound Name5-bromo-3-methyl-N-naphthalen-2-yltriazole-4-sulfonamide
PubChem CID103354389
Molecular FormulaC13H11BrN4O2S
Molecular Weight367.23 g/mol
Exact Mass365.98
IUPAC Name5-bromo-3-methyl-N-naphthalen-2-yltriazole-4-sulfonamide
SMILESCn1nnc(Br)c1S(=O)(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C13H11BrN4O2S/c1-18-13(12(14)15-17-18)21(19,20)16-11-7-6-9-4-2-3-5-10(9)8-11/h2-8,16H,1H3
InChIKeyXNMMPCSUYBFOFU-UHFFFAOYSA-N
XLogP2.53
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.23
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-aminophenyl)-5-bromo-3-methyltriazole-4-sulfonamide
CID 106465418
5-bromo-3-methyl-N-quinoxalin-6-yltriazole-4-sulfonamide
CID 103354478
5-bromo-N-(3-ethoxyphenyl)-3-methyltriazole-4-sulfonamide
CID 106467435
4-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]-N-methylbenzamide
CID 106467555
5-bromo-3-methyl-N-(2,4,6-trifluorophenyl)triazole-4-sulfonamide
CID 106468063
5-bromo-N-(4-bromo-2-ethylphenyl)-3-methyltriazole-4-sulfonamide
CID 106466685
5-bromo-N-(2-hydroxy-4-methylphenyl)-3-methyltriazole-4-sulfonamide
CID 106466748
3-bromo-N-naphthalen-2-ylbenzenesulfonamide
CID 7938660
5-chloro-1-methyl-N-naphthalen-2-ylimidazole-4-sulfonamide
CID 60747502
1-N-methyl-4-N-naphthalen-2-ylbenzene-1,4-disulfonamide
CID 86922484
5-bromo-N-[1-(2,6-difluorophenyl)ethyl]-3-methyltriazole-4-sulfonamide
CID 103354519
5-bromo-3-methyl-N-(2-methyl-3-nitrophenyl)triazole-4-sulfonamide
CID 106467579

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-methyl-N-naphthalen-2-yltriazole-4-sulfonamide?
The IUPAC name of 5-bromo-3-methyl-N-naphthalen-2-yltriazole-4-sulfonamide (CID 103354389) is 5-bromo-3-methyl-N-naphthalen-2-yltriazole-4-sulfonamide.
What is the SMILES notation for 5-bromo-3-methyl-N-naphthalen-2-yltriazole-4-sulfonamide?
The canonical SMILES for 5-bromo-3-methyl-N-naphthalen-2-yltriazole-4-sulfonamide is Cn1nnc(Br)c1S(=O)(=O)Nc1ccc2ccccc2c1.
What is the InChIKey of 5-bromo-3-methyl-N-naphthalen-2-yltriazole-4-sulfonamide?
The InChIKey is XNMMPCSUYBFOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN4O2S/c1-18-13(12(14)15-17-18)21(19,20)16-11-7-6-9-4-2-3-5-10(9)8-11/h2-8,16H,1H3.
What are the key properties of 5-bromo-3-methyl-N-naphthalen-2-yltriazole-4-sulfonamide?
5-bromo-3-methyl-N-naphthalen-2-yltriazole-4-sulfonamide has a molecular weight of 367.23 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-methyl-N-naphthalen-2-yltriazole-4-sulfonamide is sourced from PubChem (CID 103354389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).