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

C7H12BrN5O2S — CID 106467081

IUPACN-(azetidin-3-yl)-5-bromo-N,3-dimethyltriazole-4-sulfonamide
SMILESCN(C1CNC1)S(=O)(=O)c1c(Br)nnn1C
InChIInChI=1S/C7H12BrN5O2S/c1-12-7(6(8)10-11-12)16(14,15)13(2)5-3-9-4-5/h5,9H,3-4H2,1-2H3
InChIKeyWOBQLGDPTFZEOG-UHFFFAOYSA-N
MW310.18 g/mol
LogP-0.83
Rot. Bonds3

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

N-(azetidin-3-yl)-5-bromo-N,3-dimethyltriazole-4-sulfonamide (PubChem CID 106467081) has the molecular formula C7H12BrN5O2S and a molecular weight of 310.18 g/mol. Its IUPAC name is N-(azetidin-3-yl)-5-bromo-N,3-dimethyltriazole-4-sulfonamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-5-bromo-N,3-dimethyltriazole-4-sulfonamide
PubChem CID106467081
Molecular FormulaC7H12BrN5O2S
Molecular Weight310.18 g/mol
Exact Mass308.99
IUPAC NameN-(azetidin-3-yl)-5-bromo-N,3-dimethyltriazole-4-sulfonamide
SMILESCN(C1CNC1)S(=O)(=O)c1c(Br)nnn1C
InChIInChI=1S/C7H12BrN5O2S/c1-12-7(6(8)10-11-12)16(14,15)13(2)5-3-9-4-5/h5,9H,3-4H2,1-2H3
InChIKeyWOBQLGDPTFZEOG-UHFFFAOYSA-N
XLogP-0.83
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.18
LogP ≤ 5-0.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-N,3-dimethyl-N-piperidin-4-yltriazole-4-sulfonamide
CID 106466979
5-bromo-N-(1-ethylpiperidin-4-yl)-N,3-dimethyltriazole-4-sulfonamide
CID 106467618
5-bromo-N-ethyl-3-methyl-N-piperidin-4-yltriazole-4-sulfonamide
CID 106466981
5-bromo-3-methyl-N-[(3S)-pyrrolidin-3-yl]triazole-4-sulfonamide
CID 106467102
5-bromo-N-cyclopropyl-3-methyl-N-(3-methylbutyl)triazole-4-sulfonamide
CID 106467721
5-bromo-N-(3,3-dimethylbutan-2-yl)-N,3-dimethyltriazole-4-sulfonamide
CID 106467722
5-bromo-N,3-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]triazole-4-sulfonamide
CID 106468079
5-bromo-3-methyl-N-(piperidin-3-ylmethyl)-N-propyltriazole-4-sulfonamide
CID 106631322
5-bromo-3-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)triazole-4-sulfonamide
CID 106467603
1-(5-bromo-3-methyltriazol-4-yl)sulfonyl-N,N,4-trimethylpyrrolidin-3-amine
CID 103354637
5-bromo-N-(2-cyanoethyl)-N,3-dimethyltriazole-4-sulfonamide
CID 106466354
5-bromo-N-cyclopropyl-3-methyl-N-(oxolan-3-ylmethyl)triazole-4-sulfonamide
CID 106467532

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-5-bromo-N,3-dimethyltriazole-4-sulfonamide?
The IUPAC name of N-(azetidin-3-yl)-5-bromo-N,3-dimethyltriazole-4-sulfonamide (CID 106467081) is N-(azetidin-3-yl)-5-bromo-N,3-dimethyltriazole-4-sulfonamide.
What is the SMILES notation for N-(azetidin-3-yl)-5-bromo-N,3-dimethyltriazole-4-sulfonamide?
The canonical SMILES for N-(azetidin-3-yl)-5-bromo-N,3-dimethyltriazole-4-sulfonamide is CN(C1CNC1)S(=O)(=O)c1c(Br)nnn1C.
What is the InChIKey of N-(azetidin-3-yl)-5-bromo-N,3-dimethyltriazole-4-sulfonamide?
The InChIKey is WOBQLGDPTFZEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12BrN5O2S/c1-12-7(6(8)10-11-12)16(14,15)13(2)5-3-9-4-5/h5,9H,3-4H2,1-2H3.
What are the key properties of N-(azetidin-3-yl)-5-bromo-N,3-dimethyltriazole-4-sulfonamide?
N-(azetidin-3-yl)-5-bromo-N,3-dimethyltriazole-4-sulfonamide has a molecular weight of 310.18 g/mol, XLogP of -0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-5-bromo-N,3-dimethyltriazole-4-sulfonamide is sourced from PubChem (CID 106467081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).