2-[(4-chlorophenyl)methylsulfonyl]-3,4-dihydro-1H-pyrazino[1,2-a]indole

C18H17ClN2O2S — CID 110646993

IUPAC2-[(4-chlorophenyl)methylsulfonyl]-3,4-dihydro-1H-pyrazino[1,2-a]indole
SMILESO=S(=O)(Cc1ccc(Cl)cc1)N1CCn2c(cc3ccccc32)C1
InChIInChI=1S/C18H17ClN2O2S/c19-16-7-5-14(6-8-16)13-24(22,23)20-9-10-21-17(12-20)11-15-3-1-2-4-18(15)21/h1-8,11H,9-10,12-13H2
InChIKeyQVBNOOQIOYWVDZ-UHFFFAOYSA-N
MW360.87 g/mol
LogP3.64
Rot. Bonds3

About 2-[(4-chlorophenyl)methylsulfonyl]-3,4-dihydro-1H-pyrazino[1,2-a]indole

2-[(4-chlorophenyl)methylsulfonyl]-3,4-dihydro-1H-pyrazino[1,2-a]indole (PubChem CID 110646993) has the molecular formula C18H17ClN2O2S and a molecular weight of 360.87 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylsulfonyl]-3,4-dihydro-1H-pyrazino[1,2-a]indole.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylsulfonyl]-3,4-dihydro-1H-pyrazino[1,2-a]indole
PubChem CID110646993
Molecular FormulaC18H17ClN2O2S
Molecular Weight360.87 g/mol
Exact Mass360.07
IUPAC Name2-[(4-chlorophenyl)methylsulfonyl]-3,4-dihydro-1H-pyrazino[1,2-a]indole
SMILESO=S(=O)(Cc1ccc(Cl)cc1)N1CCn2c(cc3ccccc32)C1
InChIInChI=1S/C18H17ClN2O2S/c19-16-7-5-14(6-8-16)13-24(22,23)20-9-10-21-17(12-20)11-15-3-1-2-4-18(15)21/h1-8,11H,9-10,12-13H2
InChIKeyQVBNOOQIOYWVDZ-UHFFFAOYSA-N
XLogP3.64
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.87
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-phenylpropylsulfonyl)-3,4-dihydro-1H-pyrazino[1,2-a]indole
CID 110646997
2-(4-chlorophenyl)-1-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)ethanone
CID 110646911
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
2-[4-[(4-chlorophenyl)methylsulfonyl]piperazin-1-yl]pyrimidine
CID 2738375
4-[(4-chlorophenyl)methylsulfonyl]-7-phenyl-1,4-thiazepane 1,1-dioxide
CID 121192180
4-[4-[(4-chlorophenyl)methylsulfonyl]piperazin-1-yl]-6-pyrrol-1-ylpyrimidine
CID 122342123
3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxylic acid
CID 69422557
1-benzylsulfonyl-4-[(3-chloro-4-fluorophenyl)methyl]piperazine
CID 22208119
1-[(4-chlorophenyl)methylsulfonyl]-3-phenylazepane
CID 121146240
3-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)propan-1-amine
CID 84740732
1-benzyl-4-[(4-chlorophenyl)methylsulfonyl]-2,6-dimethylpiperazine
CID 110393938

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methylsulfonyl]-3,4-dihydro-1H-pyrazino[1,2-a]indole?
The IUPAC name of 2-[(4-chlorophenyl)methylsulfonyl]-3,4-dihydro-1H-pyrazino[1,2-a]indole (CID 110646993) is 2-[(4-chlorophenyl)methylsulfonyl]-3,4-dihydro-1H-pyrazino[1,2-a]indole.
What is the SMILES notation for 2-[(4-chlorophenyl)methylsulfonyl]-3,4-dihydro-1H-pyrazino[1,2-a]indole?
The canonical SMILES for 2-[(4-chlorophenyl)methylsulfonyl]-3,4-dihydro-1H-pyrazino[1,2-a]indole is O=S(=O)(Cc1ccc(Cl)cc1)N1CCn2c(cc3ccccc32)C1.
What is the InChIKey of 2-[(4-chlorophenyl)methylsulfonyl]-3,4-dihydro-1H-pyrazino[1,2-a]indole?
The InChIKey is QVBNOOQIOYWVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O2S/c19-16-7-5-14(6-8-16)13-24(22,23)20-9-10-21-17(12-20)11-15-3-1-2-4-18(15)21/h1-8,11H,9-10,12-13H2.
What are the key properties of 2-[(4-chlorophenyl)methylsulfonyl]-3,4-dihydro-1H-pyrazino[1,2-a]indole?
2-[(4-chlorophenyl)methylsulfonyl]-3,4-dihydro-1H-pyrazino[1,2-a]indole has a molecular weight of 360.87 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methylsulfonyl]-3,4-dihydro-1H-pyrazino[1,2-a]indole is sourced from PubChem (CID 110646993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).