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

C19H15ClF2N2O2S — CID 7387116

IUPAC(1R)-2-(4-chlorophenyl)sulfonyl-1-(3,4-difluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCn2cccc2[C@H]1c1ccc(F)c(F)c1
InChIInChI=1S/C19H15ClF2N2O2S/c20-14-4-6-15(7-5-14)27(25,26)24-11-10-23-9-1-2-18(23)19(24)13-3-8-16(21)17(22)12-13/h1-9,12,19H,10-11H2/t19-/m1/s1
InChIKeyBZWOLAXXIWHZOJ-LJQANCHMSA-N
MW408.86 g/mol
LogP4.21
Rot. Bonds3

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

(1R)-2-(4-chlorophenyl)sulfonyl-1-(3,4-difluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine (PubChem CID 7387116) has the molecular formula C19H15ClF2N2O2S and a molecular weight of 408.86 g/mol. Its IUPAC name is (1R)-2-(4-chlorophenyl)sulfonyl-1-(3,4-difluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name(1R)-2-(4-chlorophenyl)sulfonyl-1-(3,4-difluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
PubChem CID7387116
Molecular FormulaC19H15ClF2N2O2S
Molecular Weight408.86 g/mol
Exact Mass408.05
IUPAC Name(1R)-2-(4-chlorophenyl)sulfonyl-1-(3,4-difluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCn2cccc2[C@H]1c1ccc(F)c(F)c1
InChIInChI=1S/C19H15ClF2N2O2S/c20-14-4-6-15(7-5-14)27(25,26)24-11-10-23-9-1-2-18(23)19(24)13-3-8-16(21)17(22)12-13/h1-9,12,19H,10-11H2/t19-/m1/s1
InChIKeyBZWOLAXXIWHZOJ-LJQANCHMSA-N
XLogP4.21
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.86
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(3,4-difluorophenyl)-2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 7387119
(1S)-1-(3,4-difluorophenyl)-2-(4-nitrophenyl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 42099420
1-(4-chlorophenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 18580481
(1R)-1-(2,4-dichlorophenyl)-2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 42553940
(1R)-1-(4-fluorophenyl)-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 7387055
(1S)-1-(4-fluorophenyl)-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 7387056
(1R)-2-(4-bromophenyl)sulfonyl-1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 42554107
(1S)-2-(4-bromophenyl)sulfonyl-1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 42554106
(1S)-2-(benzenesulfonyl)-1-(3,4-dimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 42554003
(1S)-2-(4-bromophenyl)sulfonyl-1-(2-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 42553828
1-(4-fluorophenyl)-2-(2-fluorophenyl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 43994037
4-[[1-(3,4-dimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]sulfonyl]benzoic acid
CID 43994198

Frequently Asked Questions

What is the IUPAC name of (1R)-2-(4-chlorophenyl)sulfonyl-1-(3,4-difluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
The IUPAC name of (1R)-2-(4-chlorophenyl)sulfonyl-1-(3,4-difluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine (CID 7387116) is (1R)-2-(4-chlorophenyl)sulfonyl-1-(3,4-difluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for (1R)-2-(4-chlorophenyl)sulfonyl-1-(3,4-difluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
The canonical SMILES for (1R)-2-(4-chlorophenyl)sulfonyl-1-(3,4-difluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine is O=S(=O)(c1ccc(Cl)cc1)N1CCn2cccc2[C@H]1c1ccc(F)c(F)c1.
What is the InChIKey of (1R)-2-(4-chlorophenyl)sulfonyl-1-(3,4-difluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
The InChIKey is BZWOLAXXIWHZOJ-LJQANCHMSA-N. The full InChI is InChI=1S/C19H15ClF2N2O2S/c20-14-4-6-15(7-5-14)27(25,26)24-11-10-23-9-1-2-18(23)19(24)13-3-8-16(21)17(22)12-13/h1-9,12,19H,10-11H2/t19-/m1/s1.
What are the key properties of (1R)-2-(4-chlorophenyl)sulfonyl-1-(3,4-difluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
(1R)-2-(4-chlorophenyl)sulfonyl-1-(3,4-difluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine has a molecular weight of 408.86 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-(4-chlorophenyl)sulfonyl-1-(3,4-difluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 7387116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).