8-fluoro-2-(4-phenylphenyl)sulfonyl-3,4-dihydro-1H-pyrazino[1,2-a]indole

C23H19FN2O2S — CID 24737547

IUPAC8-fluoro-2-(4-phenylphenyl)sulfonyl-3,4-dihydro-1H-pyrazino[1,2-a]indole
SMILESO=S(=O)(c1ccc(-c2ccccc2)cc1)N1CCn2c(cc3cc(F)ccc32)C1
InChIInChI=1S/C23H19FN2O2S/c24-20-8-11-23-19(14-20)15-21-16-25(12-13-26(21)23)29(27,28)22-9-6-18(7-10-22)17-4-2-1-3-5-17/h1-11,14-15H,12-13,16H2
InChIKeyLWKPHGXQGJANAQ-UHFFFAOYSA-N
MW406.48 g/mol
LogP4.65
Rot. Bonds3

About 8-fluoro-2-(4-phenylphenyl)sulfonyl-3,4-dihydro-1H-pyrazino[1,2-a]indole

8-fluoro-2-(4-phenylphenyl)sulfonyl-3,4-dihydro-1H-pyrazino[1,2-a]indole (PubChem CID 24737547) has the molecular formula C23H19FN2O2S and a molecular weight of 406.48 g/mol. Its IUPAC name is 8-fluoro-2-(4-phenylphenyl)sulfonyl-3,4-dihydro-1H-pyrazino[1,2-a]indole.

Molecular Properties

Compound Name8-fluoro-2-(4-phenylphenyl)sulfonyl-3,4-dihydro-1H-pyrazino[1,2-a]indole
PubChem CID24737547
Molecular FormulaC23H19FN2O2S
Molecular Weight406.48 g/mol
Exact Mass406.12
IUPAC Name8-fluoro-2-(4-phenylphenyl)sulfonyl-3,4-dihydro-1H-pyrazino[1,2-a]indole
SMILESO=S(=O)(c1ccc(-c2ccccc2)cc1)N1CCn2c(cc3cc(F)ccc32)C1
InChIInChI=1S/C23H19FN2O2S/c24-20-8-11-23-19(14-20)15-21-16-25(12-13-26(21)23)29(27,28)22-9-6-18(7-10-22)17-4-2-1-3-5-17/h1-11,14-15H,12-13,16H2
InChIKeyLWKPHGXQGJANAQ-UHFFFAOYSA-N
XLogP4.65
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-phenoxyphenyl)sulfonyl-1,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]indole
CID 24737586
2-(3-methylsulfonylphenyl)sulfonyl-3,4-dihydro-1H-pyrazino[1,2-a]indole
CID 24737527
2-(1,3-benzodioxol-5-ylsulfonyl)-3,4-dihydro-1H-pyrazino[1,2-a]indole
CID 110646978
1-ethyl-4-(4-phenylphenyl)sulfonylpiperazine
CID 110757634
(3R,5R)-3,5-dimethyl-1-(4-phenylphenyl)sulfonylpiperidine
CID 902590
1-benzyl-4-(4-fluorophenyl)sulfonylpiperazine
CID 563073
4-(benzenesulfonyl)-1-[4-(4-fluorophenyl)phenyl]sulfonylpiperidine
CID 90589531
[7-cyclopropyl-2-(4-fluorophenyl)sulfonyl-6-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-8-carbonyl]azanium
CID 152879900
N-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]-4-phenylbenzamide
CID 29196125
3-fluoro-5-(4-piperidin-1-ylsulfonylphenyl)benzoic acid
CID 53229065
1-(3,5-difluorophenyl)sulfonyl-2-phenylindole-5-carboxylic acid
CID 146604840
1-(4-phenylphenyl)sulfonyl-1,4-diazepane
CID 119963549

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2-(4-phenylphenyl)sulfonyl-3,4-dihydro-1H-pyrazino[1,2-a]indole?
The IUPAC name of 8-fluoro-2-(4-phenylphenyl)sulfonyl-3,4-dihydro-1H-pyrazino[1,2-a]indole (CID 24737547) is 8-fluoro-2-(4-phenylphenyl)sulfonyl-3,4-dihydro-1H-pyrazino[1,2-a]indole.
What is the SMILES notation for 8-fluoro-2-(4-phenylphenyl)sulfonyl-3,4-dihydro-1H-pyrazino[1,2-a]indole?
The canonical SMILES for 8-fluoro-2-(4-phenylphenyl)sulfonyl-3,4-dihydro-1H-pyrazino[1,2-a]indole is O=S(=O)(c1ccc(-c2ccccc2)cc1)N1CCn2c(cc3cc(F)ccc32)C1.
What is the InChIKey of 8-fluoro-2-(4-phenylphenyl)sulfonyl-3,4-dihydro-1H-pyrazino[1,2-a]indole?
The InChIKey is LWKPHGXQGJANAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2O2S/c24-20-8-11-23-19(14-20)15-21-16-25(12-13-26(21)23)29(27,28)22-9-6-18(7-10-22)17-4-2-1-3-5-17/h1-11,14-15H,12-13,16H2.
What are the key properties of 8-fluoro-2-(4-phenylphenyl)sulfonyl-3,4-dihydro-1H-pyrazino[1,2-a]indole?
8-fluoro-2-(4-phenylphenyl)sulfonyl-3,4-dihydro-1H-pyrazino[1,2-a]indole has a molecular weight of 406.48 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2-(4-phenylphenyl)sulfonyl-3,4-dihydro-1H-pyrazino[1,2-a]indole is sourced from PubChem (CID 24737547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).