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

C14H14BrN3O3S — CID 90636355

IUPAC2-[1-(4-bromophenyl)sulfonylpyrrolidin-3-yl]oxypyrazine
SMILESO=S(=O)(c1ccc(Br)cc1)N1CCC(Oc2cnccn2)C1
InChIInChI=1S/C14H14BrN3O3S/c15-11-1-3-13(4-2-11)22(19,20)18-8-5-12(10-18)21-14-9-16-6-7-17-14/h1-4,6-7,9,12H,5,8,10H2
InChIKeyBTCYNLYSYPPXPK-UHFFFAOYSA-N
MW384.26 g/mol
LogP2.08
Rot. Bonds4

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

2-[1-(4-bromophenyl)sulfonylpyrrolidin-3-yl]oxypyrazine (PubChem CID 90636355) has the molecular formula C14H14BrN3O3S and a molecular weight of 384.26 g/mol. Its IUPAC name is 2-[1-(4-bromophenyl)sulfonylpyrrolidin-3-yl]oxypyrazine.

Molecular Properties

Compound Name2-[1-(4-bromophenyl)sulfonylpyrrolidin-3-yl]oxypyrazine
PubChem CID90636355
Molecular FormulaC14H14BrN3O3S
Molecular Weight384.26 g/mol
Exact Mass382.99
IUPAC Name2-[1-(4-bromophenyl)sulfonylpyrrolidin-3-yl]oxypyrazine
SMILESO=S(=O)(c1ccc(Br)cc1)N1CCC(Oc2cnccn2)C1
InChIInChI=1S/C14H14BrN3O3S/c15-11-1-3-13(4-2-11)22(19,20)18-8-5-12(10-18)21-14-9-16-6-7-17-14/h1-4,6-7,9,12H,5,8,10H2
InChIKeyBTCYNLYSYPPXPK-UHFFFAOYSA-N
XLogP2.08
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.26
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(benzenesulfonyl)pyrrolidin-3-yl]oxypyrazine
CID 90636351
2-[1-(4-propan-2-yloxyphenyl)sulfonylpyrrolidin-3-yl]oxypyrazine
CID 90636426
2-[1-(3,4-difluorophenyl)sulfonylpyrrolidin-3-yl]oxypyrazine
CID 90636413
2-[1-(3-chlorophenyl)sulfonylpyrrolidin-3-yl]oxypyrazine
CID 90636398
5-[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one
CID 100754268
2-[1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-3-yl]oxypyrazine
CID 90636381
2-[1-(2-methoxyphenyl)sulfonylpyrrolidin-3-yl]oxypyrazine
CID 90636391
2-[4-[(3R)-3-pyrazin-2-yloxypiperidin-1-yl]sulfonylphenoxy]acetamide
CID 100648532
2-[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]oxypyrazine
CID 90559144
4-[1-(4-bromophenyl)sulfonylpiperidin-3-yl]oxy-3-chloropyridine
CID 122256501
8-[(3S)-1-(4-bromophenyl)sulfonylpyrrolidin-3-yl]oxyquinoline
CID 124759299
2-[1-(2,5-dimethoxyphenyl)sulfonylpyrrolidin-3-yl]oxypyrazine
CID 90636364

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-bromophenyl)sulfonylpyrrolidin-3-yl]oxypyrazine?
The IUPAC name of 2-[1-(4-bromophenyl)sulfonylpyrrolidin-3-yl]oxypyrazine (CID 90636355) is 2-[1-(4-bromophenyl)sulfonylpyrrolidin-3-yl]oxypyrazine.
What is the SMILES notation for 2-[1-(4-bromophenyl)sulfonylpyrrolidin-3-yl]oxypyrazine?
The canonical SMILES for 2-[1-(4-bromophenyl)sulfonylpyrrolidin-3-yl]oxypyrazine is O=S(=O)(c1ccc(Br)cc1)N1CCC(Oc2cnccn2)C1.
What is the InChIKey of 2-[1-(4-bromophenyl)sulfonylpyrrolidin-3-yl]oxypyrazine?
The InChIKey is BTCYNLYSYPPXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O3S/c15-11-1-3-13(4-2-11)22(19,20)18-8-5-12(10-18)21-14-9-16-6-7-17-14/h1-4,6-7,9,12H,5,8,10H2.
What are the key properties of 2-[1-(4-bromophenyl)sulfonylpyrrolidin-3-yl]oxypyrazine?
2-[1-(4-bromophenyl)sulfonylpyrrolidin-3-yl]oxypyrazine has a molecular weight of 384.26 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-bromophenyl)sulfonylpyrrolidin-3-yl]oxypyrazine is sourced from PubChem (CID 90636355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).