5-bromo-N,3-dimethyl-N-piperidin-4-yltriazole-4-sulfonamide

C9H16BrN5O2S — CID 106466979

IUPAC5-bromo-N,3-dimethyl-N-piperidin-4-yltriazole-4-sulfonamide
SMILESCN(C1CCNCC1)S(=O)(=O)c1c(Br)nnn1C
InChIInChI=1S/C9H16BrN5O2S/c1-14-9(8(10)12-13-14)18(16,17)15(2)7-3-5-11-6-4-7/h7,11H,3-6H2,1-2H3
InChIKeyWAUBZJXBCKNQPU-UHFFFAOYSA-N
MW338.23 g/mol
LogP-0.05
Rot. Bonds3

About 5-bromo-N,3-dimethyl-N-piperidin-4-yltriazole-4-sulfonamide

5-bromo-N,3-dimethyl-N-piperidin-4-yltriazole-4-sulfonamide (PubChem CID 106466979) has the molecular formula C9H16BrN5O2S and a molecular weight of 338.23 g/mol. Its IUPAC name is 5-bromo-N,3-dimethyl-N-piperidin-4-yltriazole-4-sulfonamide.

Molecular Properties

Compound Name5-bromo-N,3-dimethyl-N-piperidin-4-yltriazole-4-sulfonamide
PubChem CID106466979
Molecular FormulaC9H16BrN5O2S
Molecular Weight338.23 g/mol
Exact Mass337.02
IUPAC Name5-bromo-N,3-dimethyl-N-piperidin-4-yltriazole-4-sulfonamide
SMILESCN(C1CCNCC1)S(=O)(=O)c1c(Br)nnn1C
InChIInChI=1S/C9H16BrN5O2S/c1-14-9(8(10)12-13-14)18(16,17)15(2)7-3-5-11-6-4-7/h7,11H,3-6H2,1-2H3
InChIKeyWAUBZJXBCKNQPU-UHFFFAOYSA-N
XLogP-0.05
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.23
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-bromo-N,3-dimethyl-N-piperidin-4-yltriazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(azetidin-3-yl)-5-bromo-N,3-dimethyltriazole-4-sulfonamide
CID 106467081
5-bromo-N-ethyl-3-methyl-N-piperidin-4-yltriazole-4-sulfonamide
CID 106466981
5-bromo-N-(1-ethylpiperidin-4-yl)-N,3-dimethyltriazole-4-sulfonamide
CID 106467618
5-bromo-3-methyl-N-[(3S)-pyrrolidin-3-yl]triazole-4-sulfonamide
CID 106467102
N,1,3,5-tetramethyl-N-piperidin-4-ylpyrazole-4-sulfonamide;hydrochloride
CID 119966073
5-bromo-N-cyclopropyl-3-methyl-N-(3-methylbutyl)triazole-4-sulfonamide
CID 106467721
5-bromo-N,3-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]triazole-4-sulfonamide
CID 106468079
3-bromo-N-methyl-N-piperidin-4-ylthiophene-2-sulfonamide
CID 54952440
5-bromo-3-methyl-N-(piperidin-3-ylmethyl)-N-propyltriazole-4-sulfonamide
CID 106631322
5-bromo-N-(cyclopropylmethyl)-3-methyl-N-(pyrrolidin-2-ylmethyl)triazole-4-sulfonamide
CID 106608681
5-bromo-N-cyclopropyl-3-methyl-N-(oxolan-3-ylmethyl)triazole-4-sulfonamide
CID 106467532
5-bromo-N-(3,3-dimethylbutan-2-yl)-N,3-dimethyltriazole-4-sulfonamide
CID 106467722

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N,3-dimethyl-N-piperidin-4-yltriazole-4-sulfonamide?
The IUPAC name of 5-bromo-N,3-dimethyl-N-piperidin-4-yltriazole-4-sulfonamide (CID 106466979) is 5-bromo-N,3-dimethyl-N-piperidin-4-yltriazole-4-sulfonamide.
What is the SMILES notation for 5-bromo-N,3-dimethyl-N-piperidin-4-yltriazole-4-sulfonamide?
The canonical SMILES for 5-bromo-N,3-dimethyl-N-piperidin-4-yltriazole-4-sulfonamide is CN(C1CCNCC1)S(=O)(=O)c1c(Br)nnn1C.
What is the InChIKey of 5-bromo-N,3-dimethyl-N-piperidin-4-yltriazole-4-sulfonamide?
The InChIKey is WAUBZJXBCKNQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16BrN5O2S/c1-14-9(8(10)12-13-14)18(16,17)15(2)7-3-5-11-6-4-7/h7,11H,3-6H2,1-2H3.
What are the key properties of 5-bromo-N,3-dimethyl-N-piperidin-4-yltriazole-4-sulfonamide?
5-bromo-N,3-dimethyl-N-piperidin-4-yltriazole-4-sulfonamide has a molecular weight of 338.23 g/mol, XLogP of -0.05, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N,3-dimethyl-N-piperidin-4-yltriazole-4-sulfonamide is sourced from PubChem (CID 106466979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).