2-(4-bromophenyl)sulfonyl-3-pyrrolidin-1-ylquinoxaline

C18H16BrN3O2S — CID 70689664

IUPAC2-(4-bromophenyl)sulfonyl-3-pyrrolidin-1-ylquinoxaline
SMILESO=S(=O)(c1ccc(Br)cc1)c1nc2ccccc2nc1N1CCCC1
InChIInChI=1S/C18H16BrN3O2S/c19-13-7-9-14(10-8-13)25(23,24)18-17(22-11-3-4-12-22)20-15-5-1-2-6-16(15)21-18/h1-2,5-10H,3-4,11-12H2
InChIKeyLEXLKGRKCOXTAL-UHFFFAOYSA-N
MW418.32 g/mol
LogP3.83
Rot. Bonds3

About 2-(4-bromophenyl)sulfonyl-3-pyrrolidin-1-ylquinoxaline

2-(4-bromophenyl)sulfonyl-3-pyrrolidin-1-ylquinoxaline (PubChem CID 70689664) has the molecular formula C18H16BrN3O2S and a molecular weight of 418.32 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfonyl-3-pyrrolidin-1-ylquinoxaline.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfonyl-3-pyrrolidin-1-ylquinoxaline
PubChem CID70689664
Molecular FormulaC18H16BrN3O2S
Molecular Weight418.32 g/mol
Exact Mass417.01
IUPAC Name2-(4-bromophenyl)sulfonyl-3-pyrrolidin-1-ylquinoxaline
SMILESO=S(=O)(c1ccc(Br)cc1)c1nc2ccccc2nc1N1CCCC1
InChIInChI=1S/C18H16BrN3O2S/c19-13-7-9-14(10-8-13)25(23,24)18-17(22-11-3-4-12-22)20-15-5-1-2-6-16(15)21-18/h1-2,5-10H,3-4,11-12H2
InChIKeyLEXLKGRKCOXTAL-UHFFFAOYSA-N
XLogP3.83
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.32
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(Benzenesulfonyl)-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetonitrile
CID 663431
3-(4-bromophenyl)sulfonyl-N-[4-(trifluoromethyl)phenyl]quinoxalin-2-amine
CID 56666796
3-(benzenesulfonyl)-N-phenylquinoxalin-2-amine
CID 56670219
4-N-[3-(4-bromophenyl)sulfonylquinoxalin-2-yl]benzene-1,4-diamine
CID 56673747
3-(4-bromophenyl)sulfonyl-N-(4-fluorophenyl)quinoxalin-2-amine
CID 56680381
3-(4-bromophenyl)sulfonyl-N-phenylquinoxalin-2-amine
CID 56683748
4-[3-(Benzenesulfonyl)quinoxalin-2-yl]morpholine
CID 70691801
1-[3-[(4-Bromophenyl)sulfonyl]-2-quinoxalinyl]-4-piperidinol
CID 70695983
7-bromo-N-butyl-3-methylsulfonylquinoxalin-2-amine
CID 118726536
1-[3-(4-Bromophenyl)sulfonylquinoxalin-2-yl]piperidine-4-carboxamide
CID 141267286
4-bromo-N-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]benzenesulfonamide
CID 2055386
3-(4-bromophenyl)sulfonyl-N-(4-chlorophenyl)quinoxalin-2-amine
CID 56666795

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfonyl-3-pyrrolidin-1-ylquinoxaline?
The IUPAC name of 2-(4-bromophenyl)sulfonyl-3-pyrrolidin-1-ylquinoxaline (CID 70689664) is 2-(4-bromophenyl)sulfonyl-3-pyrrolidin-1-ylquinoxaline.
What is the SMILES notation for 2-(4-bromophenyl)sulfonyl-3-pyrrolidin-1-ylquinoxaline?
The canonical SMILES for 2-(4-bromophenyl)sulfonyl-3-pyrrolidin-1-ylquinoxaline is O=S(=O)(c1ccc(Br)cc1)c1nc2ccccc2nc1N1CCCC1.
What is the InChIKey of 2-(4-bromophenyl)sulfonyl-3-pyrrolidin-1-ylquinoxaline?
The InChIKey is LEXLKGRKCOXTAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN3O2S/c19-13-7-9-14(10-8-13)25(23,24)18-17(22-11-3-4-12-22)20-15-5-1-2-6-16(15)21-18/h1-2,5-10H,3-4,11-12H2.
What are the key properties of 2-(4-bromophenyl)sulfonyl-3-pyrrolidin-1-ylquinoxaline?
2-(4-bromophenyl)sulfonyl-3-pyrrolidin-1-ylquinoxaline has a molecular weight of 418.32 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)sulfonyl-3-pyrrolidin-1-ylquinoxaline is sourced from PubChem (CID 70689664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).