4-[1-(3-bromophenyl)sulfonylpyrrolidin-2-yl]pyridine

C15H15BrN2O2S — CID 60727492

IUPAC4-[1-(3-bromophenyl)sulfonylpyrrolidin-2-yl]pyridine
SMILESO=S(=O)(c1cccc(Br)c1)N1CCCC1c1ccncc1
InChIInChI=1S/C15H15BrN2O2S/c16-13-3-1-4-14(11-13)21(19,20)18-10-2-5-15(18)12-6-8-17-9-7-12/h1,3-4,6-9,11,15H,2,5,10H2
InChIKeyTWHOVVALGSIGCD-UHFFFAOYSA-N
MW367.27 g/mol
LogP3.37
Rot. Bonds3

About 4-[1-(3-bromophenyl)sulfonylpyrrolidin-2-yl]pyridine

4-[1-(3-bromophenyl)sulfonylpyrrolidin-2-yl]pyridine (PubChem CID 60727492) has the molecular formula C15H15BrN2O2S and a molecular weight of 367.27 g/mol. Its IUPAC name is 4-[1-(3-bromophenyl)sulfonylpyrrolidin-2-yl]pyridine.

Molecular Properties

Compound Name4-[1-(3-bromophenyl)sulfonylpyrrolidin-2-yl]pyridine
PubChem CID60727492
Molecular FormulaC15H15BrN2O2S
Molecular Weight367.27 g/mol
Exact Mass366.00
IUPAC Name4-[1-(3-bromophenyl)sulfonylpyrrolidin-2-yl]pyridine
SMILESO=S(=O)(c1cccc(Br)c1)N1CCCC1c1ccncc1
InChIInChI=1S/C15H15BrN2O2S/c16-13-3-1-4-14(11-13)21(19,20)18-10-2-5-15(18)12-6-8-17-9-7-12/h1,3-4,6-9,11,15H,2,5,10H2
InChIKeyTWHOVVALGSIGCD-UHFFFAOYSA-N
XLogP3.37
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.27
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2R)-1-naphthalen-2-ylsulfonylpyrrolidin-2-yl]pyridine
CID 25361203
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(4aS,8aS)-1-(3-bromophenyl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 11926523
5-(2-pyridin-4-ylpyrrolidin-1-yl)sulfonyl-1,3-dihydrobenzimidazol-2-one
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[1-(3-bromophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 3809437
4-[1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-2-yl]pyridine
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4-[(2R)-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]pyridine
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2-chloro-4-[(2R)-2-pyridin-4-ylpyrrolidin-1-yl]sulfonylbenzonitrile
CID 94025265
4-[1-(4-methoxy-3-nitrophenyl)sulfonylpyrrolidin-2-yl]pyridine
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[1-(3-bromophenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988893
4-[1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]pyrimidine
CID 110114763
4-[1-(5-bromo-3-methyltriazol-4-yl)sulfonylpyrrolidin-2-yl]pyridine
CID 106467625

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-bromophenyl)sulfonylpyrrolidin-2-yl]pyridine?
The IUPAC name of 4-[1-(3-bromophenyl)sulfonylpyrrolidin-2-yl]pyridine (CID 60727492) is 4-[1-(3-bromophenyl)sulfonylpyrrolidin-2-yl]pyridine.
What is the SMILES notation for 4-[1-(3-bromophenyl)sulfonylpyrrolidin-2-yl]pyridine?
The canonical SMILES for 4-[1-(3-bromophenyl)sulfonylpyrrolidin-2-yl]pyridine is O=S(=O)(c1cccc(Br)c1)N1CCCC1c1ccncc1.
What is the InChIKey of 4-[1-(3-bromophenyl)sulfonylpyrrolidin-2-yl]pyridine?
The InChIKey is TWHOVVALGSIGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2S/c16-13-3-1-4-14(11-13)21(19,20)18-10-2-5-15(18)12-6-8-17-9-7-12/h1,3-4,6-9,11,15H,2,5,10H2.
What are the key properties of 4-[1-(3-bromophenyl)sulfonylpyrrolidin-2-yl]pyridine?
4-[1-(3-bromophenyl)sulfonylpyrrolidin-2-yl]pyridine has a molecular weight of 367.27 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-bromophenyl)sulfonylpyrrolidin-2-yl]pyridine is sourced from PubChem (CID 60727492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).