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

C21H21ClN2O3S — CID 43994180

IUPAC2-(2-chlorophenyl)sulfonyl-1-(4-ethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCCOc1ccc(C2c3cccn3CCN2S(=O)(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C21H21ClN2O3S/c1-2-27-17-11-9-16(10-12-17)21-19-7-5-13-23(19)14-15-24(21)28(25,26)20-8-4-3-6-18(20)22/h3-13,21H,2,14-15H2,1H3
InChIKeyCOFDMXPOGYQOMT-UHFFFAOYSA-N
MW416.93 g/mol
LogP4.33
Rot. Bonds5

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

2-(2-chlorophenyl)sulfonyl-1-(4-ethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine (PubChem CID 43994180) has the molecular formula C21H21ClN2O3S and a molecular weight of 416.93 g/mol. Its IUPAC name is 2-(2-chlorophenyl)sulfonyl-1-(4-ethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name2-(2-chlorophenyl)sulfonyl-1-(4-ethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
PubChem CID43994180
Molecular FormulaC21H21ClN2O3S
Molecular Weight416.93 g/mol
Exact Mass416.10
IUPAC Name2-(2-chlorophenyl)sulfonyl-1-(4-ethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCCOc1ccc(C2c3cccn3CCN2S(=O)(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C21H21ClN2O3S/c1-2-27-17-11-9-16(10-12-17)21-19-7-5-13-23(19)14-15-24(21)28(25,26)20-8-4-3-6-18(20)22/h3-13,21H,2,14-15H2,1H3
InChIKeyCOFDMXPOGYQOMT-UHFFFAOYSA-N
XLogP4.33
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.93
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromophenyl)-2-(2-chlorophenyl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 43994077
2-(2-fluorophenyl)sulfonyl-1-(4-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 43994145
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-(4-ethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 16830391
1-(4-methoxyphenyl)-2-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 43994149
1-(4-fluorophenyl)-2-(2-fluorophenyl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 43994037
1-(2-chlorophenyl)sulfonyl-4-(4-ethoxyphenyl)sulfonylpiperazine
CID 2525429
1-(4-methoxyphenyl)-2-naphthalen-2-ylsulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 16830386
1-(4-chlorophenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 18580481
(1S)-1-(4-fluorophenyl)-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 7387056
(1R)-1-(4-fluorophenyl)-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 7387055
(1S)-2-(4-bromophenyl)sulfonyl-1-(4-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 42553978
2-(2,5-dimethoxyphenyl)sulfonyl-1-pyridin-4-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 43994348

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)sulfonyl-1-(4-ethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
The IUPAC name of 2-(2-chlorophenyl)sulfonyl-1-(4-ethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine (CID 43994180) is 2-(2-chlorophenyl)sulfonyl-1-(4-ethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 2-(2-chlorophenyl)sulfonyl-1-(4-ethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
The canonical SMILES for 2-(2-chlorophenyl)sulfonyl-1-(4-ethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine is CCOc1ccc(C2c3cccn3CCN2S(=O)(=O)c2ccccc2Cl)cc1.
What is the InChIKey of 2-(2-chlorophenyl)sulfonyl-1-(4-ethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
The InChIKey is COFDMXPOGYQOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O3S/c1-2-27-17-11-9-16(10-12-17)21-19-7-5-13-23(19)14-15-24(21)28(25,26)20-8-4-3-6-18(20)22/h3-13,21H,2,14-15H2,1H3.
What are the key properties of 2-(2-chlorophenyl)sulfonyl-1-(4-ethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
2-(2-chlorophenyl)sulfonyl-1-(4-ethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine has a molecular weight of 416.93 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)sulfonyl-1-(4-ethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 43994180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).