4-[1-(5-bromo-3-methyltriazol-4-yl)sulfonylpyrrolidin-2-yl]pyridine

C12H14BrN5O2S — CID 106467625

IUPAC4-[1-(5-bromo-3-methyltriazol-4-yl)sulfonylpyrrolidin-2-yl]pyridine
SMILESCn1nnc(Br)c1S(=O)(=O)N1CCCC1c1ccncc1
InChIInChI=1S/C12H14BrN5O2S/c1-17-12(11(13)15-16-17)21(19,20)18-8-2-3-10(18)9-4-6-14-7-5-9/h4-7,10H,2-3,8H2,1H3
InChIKeyDXSXLPLSVOHMAW-UHFFFAOYSA-N
MW372.25 g/mol
LogP1.50
Rot. Bonds3

About 4-[1-(5-bromo-3-methyltriazol-4-yl)sulfonylpyrrolidin-2-yl]pyridine

4-[1-(5-bromo-3-methyltriazol-4-yl)sulfonylpyrrolidin-2-yl]pyridine (PubChem CID 106467625) has the molecular formula C12H14BrN5O2S and a molecular weight of 372.25 g/mol. Its IUPAC name is 4-[1-(5-bromo-3-methyltriazol-4-yl)sulfonylpyrrolidin-2-yl]pyridine.

Molecular Properties

Compound Name4-[1-(5-bromo-3-methyltriazol-4-yl)sulfonylpyrrolidin-2-yl]pyridine
PubChem CID106467625
Molecular FormulaC12H14BrN5O2S
Molecular Weight372.25 g/mol
Exact Mass371.01
IUPAC Name4-[1-(5-bromo-3-methyltriazol-4-yl)sulfonylpyrrolidin-2-yl]pyridine
SMILESCn1nnc(Br)c1S(=O)(=O)N1CCCC1c1ccncc1
InChIInChI=1S/C12H14BrN5O2S/c1-17-12(11(13)15-16-17)21(19,20)18-8-2-3-10(18)9-4-6-14-7-5-9/h4-7,10H,2-3,8H2,1H3
InChIKeyDXSXLPLSVOHMAW-UHFFFAOYSA-N
XLogP1.50
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.25
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(1-propan-2-ylsulfonylpyrrolidin-2-yl)pyridine
CID 61356341
4-[(2R)-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]pyridine
CID 94162249
4-[1-(3-bromophenyl)sulfonylpyrrolidin-2-yl]pyridine
CID 60727492
1-(5-bromo-3-methyltriazol-4-yl)sulfonyl-2,3,3a,4,5,6,7,7a-octahydroindole
CID 106468138
2-(bromomethyl)-1-(5-bromo-3-methyltriazol-4-yl)sulfonylpiperidine
CID 106468408
4-(2-pyridin-4-ylpyrrolidin-1-yl)sulfonylaniline
CID 43577800
4-[1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-2-yl]pyridine
CID 110871642
4-[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-2-yl]pyridine
CID 60910841
1-(5-bromo-3-methyltriazol-4-yl)sulfonyl-2-isocyanatoazepane
CID 106466729
methyl 4-(2-pyridin-4-ylpyrrolidin-1-yl)sulfonylbenzoate
CID 42943935
4-[(2R)-1-naphthalen-2-ylsulfonylpyrrolidin-2-yl]pyridine
CID 25361203
4-[(2S)-1-(2,5-dimethoxyphenyl)sulfonylpyrrolidin-2-yl]pyridine
CID 30747502

Frequently Asked Questions

What is the IUPAC name of 4-[1-(5-bromo-3-methyltriazol-4-yl)sulfonylpyrrolidin-2-yl]pyridine?
The IUPAC name of 4-[1-(5-bromo-3-methyltriazol-4-yl)sulfonylpyrrolidin-2-yl]pyridine (CID 106467625) is 4-[1-(5-bromo-3-methyltriazol-4-yl)sulfonylpyrrolidin-2-yl]pyridine.
What is the SMILES notation for 4-[1-(5-bromo-3-methyltriazol-4-yl)sulfonylpyrrolidin-2-yl]pyridine?
The canonical SMILES for 4-[1-(5-bromo-3-methyltriazol-4-yl)sulfonylpyrrolidin-2-yl]pyridine is Cn1nnc(Br)c1S(=O)(=O)N1CCCC1c1ccncc1.
What is the InChIKey of 4-[1-(5-bromo-3-methyltriazol-4-yl)sulfonylpyrrolidin-2-yl]pyridine?
The InChIKey is DXSXLPLSVOHMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN5O2S/c1-17-12(11(13)15-16-17)21(19,20)18-8-2-3-10(18)9-4-6-14-7-5-9/h4-7,10H,2-3,8H2,1H3.
What are the key properties of 4-[1-(5-bromo-3-methyltriazol-4-yl)sulfonylpyrrolidin-2-yl]pyridine?
4-[1-(5-bromo-3-methyltriazol-4-yl)sulfonylpyrrolidin-2-yl]pyridine has a molecular weight of 372.25 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(5-bromo-3-methyltriazol-4-yl)sulfonylpyrrolidin-2-yl]pyridine is sourced from PubChem (CID 106467625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).