2-[1-(5-chloro-2-methoxyphenyl)sulfonylpyrrolidin-3-yl]oxy-3-methoxypyrazine

C16H18ClN3O5S — CID 90637251

IUPAC2-[1-(5-chloro-2-methoxyphenyl)sulfonylpyrrolidin-3-yl]oxy-3-methoxypyrazine
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N1CCC(Oc2nccnc2OC)C1
InChIInChI=1S/C16H18ClN3O5S/c1-23-13-4-3-11(17)9-14(13)26(21,22)20-8-5-12(10-20)25-16-15(24-2)18-6-7-19-16/h3-4,6-7,9,12H,5,8,10H2,1-2H3
InChIKeyNQAKHTDVEDUQOE-UHFFFAOYSA-N
MW399.86 g/mol
LogP1.99
Rot. Bonds6

About 2-[1-(5-chloro-2-methoxyphenyl)sulfonylpyrrolidin-3-yl]oxy-3-methoxypyrazine

2-[1-(5-chloro-2-methoxyphenyl)sulfonylpyrrolidin-3-yl]oxy-3-methoxypyrazine (PubChem CID 90637251) has the molecular formula C16H18ClN3O5S and a molecular weight of 399.86 g/mol. Its IUPAC name is 2-[1-(5-chloro-2-methoxyphenyl)sulfonylpyrrolidin-3-yl]oxy-3-methoxypyrazine.

Molecular Properties

Compound Name2-[1-(5-chloro-2-methoxyphenyl)sulfonylpyrrolidin-3-yl]oxy-3-methoxypyrazine
PubChem CID90637251
Molecular FormulaC16H18ClN3O5S
Molecular Weight399.86 g/mol
Exact Mass399.07
IUPAC Name2-[1-(5-chloro-2-methoxyphenyl)sulfonylpyrrolidin-3-yl]oxy-3-methoxypyrazine
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N1CCC(Oc2nccnc2OC)C1
InChIInChI=1S/C16H18ClN3O5S/c1-23-13-4-3-11(17)9-14(13)26(21,22)20-8-5-12(10-20)25-16-15(24-2)18-6-7-19-16/h3-4,6-7,9,12H,5,8,10H2,1-2H3
InChIKeyNQAKHTDVEDUQOE-UHFFFAOYSA-N
XLogP1.99
TPSA90.85 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.86
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-chloro-2-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-3-yl]oxypyrimidine
CID 119100836
2-[1-(3-chloro-2-methylphenyl)sulfonylpyrrolidin-3-yl]oxy-3-methoxypyrazine
CID 90637208
2-[(3S)-1-(5-chloro-2-methoxyphenyl)sulfonylpyrrolidin-3-yl]oxy-6-methylpyridine
CID 129418000
2-[(3R)-1-(5-chloro-2-methoxyphenyl)sulfonylpyrrolidin-3-yl]triazole
CID 124892345
3-bromo-2-[(3R)-1-(2-methoxy-5-methylphenyl)sulfonylpyrrolidin-3-yl]oxypyridine
CID 129417204
4-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]oxy-2-methoxypyrimidine
CID 121161732
4-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]oxy-2-methylpyrimidine
CID 121162883
2-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-3-methoxypyrazine
CID 91626995
2-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-3-yl]oxy-4-(trifluoromethyl)pyrimidine
CID 122267886
(3R)-3-tert-butylsulfonyl-1-(5-chloro-2-methoxyphenyl)sulfonylpyrrolidine
CID 97427292
N-(5-chloro-2-methoxyphenyl)-3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carboxamide
CID 90637156
2-[1-(2,5-dimethoxyphenyl)sulfonylpyrrolidin-3-yl]oxypyrazine
CID 90636364

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-chloro-2-methoxyphenyl)sulfonylpyrrolidin-3-yl]oxy-3-methoxypyrazine?
The IUPAC name of 2-[1-(5-chloro-2-methoxyphenyl)sulfonylpyrrolidin-3-yl]oxy-3-methoxypyrazine (CID 90637251) is 2-[1-(5-chloro-2-methoxyphenyl)sulfonylpyrrolidin-3-yl]oxy-3-methoxypyrazine.
What is the SMILES notation for 2-[1-(5-chloro-2-methoxyphenyl)sulfonylpyrrolidin-3-yl]oxy-3-methoxypyrazine?
The canonical SMILES for 2-[1-(5-chloro-2-methoxyphenyl)sulfonylpyrrolidin-3-yl]oxy-3-methoxypyrazine is COc1ccc(Cl)cc1S(=O)(=O)N1CCC(Oc2nccnc2OC)C1.
What is the InChIKey of 2-[1-(5-chloro-2-methoxyphenyl)sulfonylpyrrolidin-3-yl]oxy-3-methoxypyrazine?
The InChIKey is NQAKHTDVEDUQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O5S/c1-23-13-4-3-11(17)9-14(13)26(21,22)20-8-5-12(10-20)25-16-15(24-2)18-6-7-19-16/h3-4,6-7,9,12H,5,8,10H2,1-2H3.
What are the key properties of 2-[1-(5-chloro-2-methoxyphenyl)sulfonylpyrrolidin-3-yl]oxy-3-methoxypyrazine?
2-[1-(5-chloro-2-methoxyphenyl)sulfonylpyrrolidin-3-yl]oxy-3-methoxypyrazine has a molecular weight of 399.86 g/mol, XLogP of 1.99, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-chloro-2-methoxyphenyl)sulfonylpyrrolidin-3-yl]oxy-3-methoxypyrazine is sourced from PubChem (CID 90637251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).