5-bromo-N-(3,3-dimethylbutan-2-yl)-N,3-dimethyltriazole-4-sulfonamide

C10H19BrN4O2S — CID 106467722

IUPAC5-bromo-N-(3,3-dimethylbutan-2-yl)-N,3-dimethyltriazole-4-sulfonamide
SMILESCC(N(C)S(=O)(=O)c1c(Br)nnn1C)C(C)(C)C
InChIInChI=1S/C10H19BrN4O2S/c1-7(10(2,3)4)15(6)18(16,17)9-8(11)12-13-14(9)5/h7H,1-6H3
InChIKeyFDHXHGUVHXGAIJ-UHFFFAOYSA-N
MW339.26 g/mol
LogP1.63
Rot. Bonds3

About 5-bromo-N-(3,3-dimethylbutan-2-yl)-N,3-dimethyltriazole-4-sulfonamide

5-bromo-N-(3,3-dimethylbutan-2-yl)-N,3-dimethyltriazole-4-sulfonamide (PubChem CID 106467722) has the molecular formula C10H19BrN4O2S and a molecular weight of 339.26 g/mol. Its IUPAC name is 5-bromo-N-(3,3-dimethylbutan-2-yl)-N,3-dimethyltriazole-4-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(3,3-dimethylbutan-2-yl)-N,3-dimethyltriazole-4-sulfonamide
PubChem CID106467722
Molecular FormulaC10H19BrN4O2S
Molecular Weight339.26 g/mol
Exact Mass338.04
IUPAC Name5-bromo-N-(3,3-dimethylbutan-2-yl)-N,3-dimethyltriazole-4-sulfonamide
SMILESCC(N(C)S(=O)(=O)c1c(Br)nnn1C)C(C)(C)C
InChIInChI=1S/C10H19BrN4O2S/c1-7(10(2,3)4)15(6)18(16,17)9-8(11)12-13-14(9)5/h7H,1-6H3
InChIKeyFDHXHGUVHXGAIJ-UHFFFAOYSA-N
XLogP1.63
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.26
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-[1-(2-chlorophenyl)ethyl]-N,3-dimethyltriazole-4-sulfonamide
CID 106467728
5-bromo-N-(2-chloro-3-methoxypropyl)-N,3-dimethyltriazole-4-sulfonamide
CID 106468358
N-(azetidin-3-yl)-5-bromo-N,3-dimethyltriazole-4-sulfonamide
CID 106467081
5-bromo-N-(2-hydroxy-3-methylbutyl)-3-methyltriazole-4-sulfonamide
CID 106466889
5-bromo-N-cyclopropyl-3-methyl-N-(3-methylbutyl)triazole-4-sulfonamide
CID 106467721
5-bromo-N-(2-cyanoethyl)-N,3-dimethyltriazole-4-sulfonamide
CID 106466354
5-bromo-N-ethyl-N-(2-ethylbutyl)-3-methyltriazole-4-sulfonamide
CID 106467629
5-bromo-N-(1-cyclopropylethyl)-3-methyl-N-(2,2,2-trifluoroethyl)triazole-4-sulfonamide
CID 106467709
5-bromo-N,3-dimethyl-N-piperidin-4-yltriazole-4-sulfonamide
CID 106466979
5-bromo-N-(1,3-dichloro-2-methylpropan-2-yl)-3-methyltriazole-4-sulfonamide
CID 106468456
5-bromo-3-methyl-N-(3-methylbutyl)triazole-4-sulfonamide
CID 106467256
5-bromo-N-(1-chloro-4-methylpentan-3-yl)-3-methyltriazole-4-sulfonamide
CID 106356450

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3,3-dimethylbutan-2-yl)-N,3-dimethyltriazole-4-sulfonamide?
The IUPAC name of 5-bromo-N-(3,3-dimethylbutan-2-yl)-N,3-dimethyltriazole-4-sulfonamide (CID 106467722) is 5-bromo-N-(3,3-dimethylbutan-2-yl)-N,3-dimethyltriazole-4-sulfonamide.
What is the SMILES notation for 5-bromo-N-(3,3-dimethylbutan-2-yl)-N,3-dimethyltriazole-4-sulfonamide?
The canonical SMILES for 5-bromo-N-(3,3-dimethylbutan-2-yl)-N,3-dimethyltriazole-4-sulfonamide is CC(N(C)S(=O)(=O)c1c(Br)nnn1C)C(C)(C)C.
What is the InChIKey of 5-bromo-N-(3,3-dimethylbutan-2-yl)-N,3-dimethyltriazole-4-sulfonamide?
The InChIKey is FDHXHGUVHXGAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19BrN4O2S/c1-7(10(2,3)4)15(6)18(16,17)9-8(11)12-13-14(9)5/h7H,1-6H3.
What are the key properties of 5-bromo-N-(3,3-dimethylbutan-2-yl)-N,3-dimethyltriazole-4-sulfonamide?
5-bromo-N-(3,3-dimethylbutan-2-yl)-N,3-dimethyltriazole-4-sulfonamide has a molecular weight of 339.26 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3,3-dimethylbutan-2-yl)-N,3-dimethyltriazole-4-sulfonamide is sourced from PubChem (CID 106467722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).