1-(4-bromophenyl)-2-(2-chlorophenyl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine

C19H16BrClN2O2S — CID 43994077

IUPAC1-(4-bromophenyl)-2-(2-chlorophenyl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
SMILESO=S(=O)(c1ccccc1Cl)N1CCn2cccc2C1c1ccc(Br)cc1
InChIInChI=1S/C19H16BrClN2O2S/c20-15-9-7-14(8-10-15)19-17-5-3-11-22(17)12-13-23(19)26(24,25)18-6-2-1-4-16(18)21/h1-11,19H,12-13H2
InChIKeyDVIQOZPAITYARE-UHFFFAOYSA-N
MW451.77 g/mol
LogP4.70
Rot. Bonds3

About 1-(4-bromophenyl)-2-(2-chlorophenyl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine

1-(4-bromophenyl)-2-(2-chlorophenyl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine (PubChem CID 43994077) has the molecular formula C19H16BrClN2O2S and a molecular weight of 451.77 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-(2-chlorophenyl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-(2-chlorophenyl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
PubChem CID43994077
Molecular FormulaC19H16BrClN2O2S
Molecular Weight451.77 g/mol
Exact Mass449.98
IUPAC Name1-(4-bromophenyl)-2-(2-chlorophenyl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
SMILESO=S(=O)(c1ccccc1Cl)N1CCn2cccc2C1c1ccc(Br)cc1
InChIInChI=1S/C19H16BrClN2O2S/c20-15-9-7-14(8-10-15)19-17-5-3-11-22(17)12-13-23(19)26(24,25)18-6-2-1-4-16(18)21/h1-11,19H,12-13H2
InChIKeyDVIQOZPAITYARE-UHFFFAOYSA-N
XLogP4.70
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.77
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenyl)sulfonyl-1-(4-ethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 43994180
(1S)-2-(4-bromophenyl)sulfonyl-1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 42554106
(1R)-2-(4-bromophenyl)sulfonyl-1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 42554107
1-(4-fluorophenyl)-2-(2-fluorophenyl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 43994037
(1S)-2-(4-bromophenyl)sulfonyl-1-(4-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 42553978
1-(4-bromophenyl)-2-propylsulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 43994070
2-(2-fluorophenyl)sulfonyl-1-(4-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 43994145
1-(4-methoxyphenyl)-2-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 43994149
1-(4-chlorophenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 18580481
(1S)-2-(4-bromophenyl)sulfonyl-1-(2-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 42553828
2-(2,4-difluorophenyl)sulfonyl-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 43994007
1-(3,4-dimethoxyphenyl)-2-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 16830408

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-(2-chlorophenyl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
The IUPAC name of 1-(4-bromophenyl)-2-(2-chlorophenyl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine (CID 43994077) is 1-(4-bromophenyl)-2-(2-chlorophenyl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 1-(4-bromophenyl)-2-(2-chlorophenyl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
The canonical SMILES for 1-(4-bromophenyl)-2-(2-chlorophenyl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine is O=S(=O)(c1ccccc1Cl)N1CCn2cccc2C1c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-2-(2-chlorophenyl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
The InChIKey is DVIQOZPAITYARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrClN2O2S/c20-15-9-7-14(8-10-15)19-17-5-3-11-22(17)12-13-23(19)26(24,25)18-6-2-1-4-16(18)21/h1-11,19H,12-13H2.
What are the key properties of 1-(4-bromophenyl)-2-(2-chlorophenyl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
1-(4-bromophenyl)-2-(2-chlorophenyl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine has a molecular weight of 451.77 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-(2-chlorophenyl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 43994077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).