6-[1-(2,5-dichlorophenyl)sulfonylpyrrolidin-3-yl]oxy-N,N-dimethylpyrazin-2-amine

C16H18Cl2N4O3S — CID 90638123

IUPAC6-[1-(2,5-dichlorophenyl)sulfonylpyrrolidin-3-yl]oxy-N,N-dimethylpyrazin-2-amine
SMILESCN(C)c1cncc(OC2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)C2)n1
InChIInChI=1S/C16H18Cl2N4O3S/c1-21(2)15-8-19-9-16(20-15)25-12-5-6-22(10-12)26(23,24)14-7-11(17)3-4-13(14)18/h3-4,7-9,12H,5-6,10H2,1-2H3
InChIKeyZJQDUGZDIVJIQE-UHFFFAOYSA-N
MW417.32 g/mol
LogP2.69
Rot. Bonds5

About 6-[1-(2,5-dichlorophenyl)sulfonylpyrrolidin-3-yl]oxy-N,N-dimethylpyrazin-2-amine

6-[1-(2,5-dichlorophenyl)sulfonylpyrrolidin-3-yl]oxy-N,N-dimethylpyrazin-2-amine (PubChem CID 90638123) has the molecular formula C16H18Cl2N4O3S and a molecular weight of 417.32 g/mol. Its IUPAC name is 6-[1-(2,5-dichlorophenyl)sulfonylpyrrolidin-3-yl]oxy-N,N-dimethylpyrazin-2-amine.

Molecular Properties

Compound Name6-[1-(2,5-dichlorophenyl)sulfonylpyrrolidin-3-yl]oxy-N,N-dimethylpyrazin-2-amine
PubChem CID90638123
Molecular FormulaC16H18Cl2N4O3S
Molecular Weight417.32 g/mol
Exact Mass416.05
IUPAC Name6-[1-(2,5-dichlorophenyl)sulfonylpyrrolidin-3-yl]oxy-N,N-dimethylpyrazin-2-amine
SMILESCN(C)c1cncc(OC2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)C2)n1
InChIInChI=1S/C16H18Cl2N4O3S/c1-21(2)15-8-19-9-16(20-15)25-12-5-6-22(10-12)26(23,24)14-7-11(17)3-4-13(14)18/h3-4,7-9,12H,5-6,10H2,1-2H3
InChIKeyZJQDUGZDIVJIQE-UHFFFAOYSA-N
XLogP2.69
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.32
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(2,5-dichlorophenyl)sulfonylpyrrolidin-3-yl]oxy-4,6-dimethylpyrimidine
CID 121017608
2-[(3S)-1-(2,5-dichlorophenyl)sulfonylpyrrolidin-3-yl]oxy-4,6-dimethylpyrimidine
CID 129355041
N,N-dimethyl-6-(1-thiophen-2-ylsulfonylpyrrolidin-3-yl)oxypyrazin-2-amine
CID 90638074
N,N-dimethyl-6-(1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl)oxypyrazin-2-amine
CID 90638151
2-[1-(2,5-dichlorophenyl)sulfonylpiperidin-3-yl]oxypyrimidine
CID 121018010
2-[1-(2,5-dichlorophenyl)sulfonylpiperidin-3-yl]oxy-5-ethylpyrimidine
CID 122268440
N-[(4-chlorophenyl)methyl]-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidine-1-carboxamide
CID 90638035
3-[1-(5-chloro-2-methylphenyl)sulfonylpyrrolidin-3-yl]oxypyridazine
CID 90638526
2-[(3S)-1-(5-chloro-2-methoxyphenyl)sulfonylpyrrolidin-3-yl]oxy-6-methylpyridine
CID 129418000
2-[1-(3-chlorophenyl)sulfonylpyrrolidin-3-yl]oxypyrazine
CID 90636398
1-(2,5-dichlorophenyl)sulfonyl-N-methylpiperidin-3-amine
CID 62536952
[(3R)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-pyrimidin-2-ylmethanone
CID 100619229

Frequently Asked Questions

What is the IUPAC name of 6-[1-(2,5-dichlorophenyl)sulfonylpyrrolidin-3-yl]oxy-N,N-dimethylpyrazin-2-amine?
The IUPAC name of 6-[1-(2,5-dichlorophenyl)sulfonylpyrrolidin-3-yl]oxy-N,N-dimethylpyrazin-2-amine (CID 90638123) is 6-[1-(2,5-dichlorophenyl)sulfonylpyrrolidin-3-yl]oxy-N,N-dimethylpyrazin-2-amine.
What is the SMILES notation for 6-[1-(2,5-dichlorophenyl)sulfonylpyrrolidin-3-yl]oxy-N,N-dimethylpyrazin-2-amine?
The canonical SMILES for 6-[1-(2,5-dichlorophenyl)sulfonylpyrrolidin-3-yl]oxy-N,N-dimethylpyrazin-2-amine is CN(C)c1cncc(OC2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)C2)n1.
What is the InChIKey of 6-[1-(2,5-dichlorophenyl)sulfonylpyrrolidin-3-yl]oxy-N,N-dimethylpyrazin-2-amine?
The InChIKey is ZJQDUGZDIVJIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N4O3S/c1-21(2)15-8-19-9-16(20-15)25-12-5-6-22(10-12)26(23,24)14-7-11(17)3-4-13(14)18/h3-4,7-9,12H,5-6,10H2,1-2H3.
What are the key properties of 6-[1-(2,5-dichlorophenyl)sulfonylpyrrolidin-3-yl]oxy-N,N-dimethylpyrazin-2-amine?
6-[1-(2,5-dichlorophenyl)sulfonylpyrrolidin-3-yl]oxy-N,N-dimethylpyrazin-2-amine has a molecular weight of 417.32 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(2,5-dichlorophenyl)sulfonylpyrrolidin-3-yl]oxy-N,N-dimethylpyrazin-2-amine is sourced from PubChem (CID 90638123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).