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

C16H18ClN3O4S — CID 90637208

IUPAC2-[1-(3-chloro-2-methylphenyl)sulfonylpyrrolidin-3-yl]oxy-3-methoxypyrazine
SMILESCOc1nccnc1OC1CCN(S(=O)(=O)c2cccc(Cl)c2C)C1
InChIInChI=1S/C16H18ClN3O4S/c1-11-13(17)4-3-5-14(11)25(21,22)20-9-6-12(10-20)24-16-15(23-2)18-7-8-19-16/h3-5,7-8,12H,6,9-10H2,1-2H3
InChIKeyHTIWZYIXKYHVEK-UHFFFAOYSA-N
MW383.86 g/mol
LogP2.29
Rot. Bonds5

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

2-[1-(3-chloro-2-methylphenyl)sulfonylpyrrolidin-3-yl]oxy-3-methoxypyrazine (PubChem CID 90637208) has the molecular formula C16H18ClN3O4S and a molecular weight of 383.86 g/mol. Its IUPAC name is 2-[1-(3-chloro-2-methylphenyl)sulfonylpyrrolidin-3-yl]oxy-3-methoxypyrazine.

Molecular Properties

Compound Name2-[1-(3-chloro-2-methylphenyl)sulfonylpyrrolidin-3-yl]oxy-3-methoxypyrazine
PubChem CID90637208
Molecular FormulaC16H18ClN3O4S
Molecular Weight383.86 g/mol
Exact Mass383.07
IUPAC Name2-[1-(3-chloro-2-methylphenyl)sulfonylpyrrolidin-3-yl]oxy-3-methoxypyrazine
SMILESCOc1nccnc1OC1CCN(S(=O)(=O)c2cccc(Cl)c2C)C1
InChIInChI=1S/C16H18ClN3O4S/c1-11-13(17)4-3-5-14(11)25(21,22)20-9-6-12(10-20)24-16-15(23-2)18-7-8-19-16/h3-5,7-8,12H,6,9-10H2,1-2H3
InChIKeyHTIWZYIXKYHVEK-UHFFFAOYSA-N
XLogP2.29
TPSA81.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.86
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[1-(3-chloro-2-methylphenyl)sulfonylpyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 90636786
2-[1-(5-chloro-2-methoxyphenyl)sulfonylpyrrolidin-3-yl]oxy-3-methoxypyrazine
CID 90637251
2-[1-(3-chloro-2-methylphenyl)sulfonylpyrrolidin-3-yl]oxyquinoxaline
CID 126850669
2-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-3-methoxypyrazine
CID 91626995
3-chloro-4-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]oxypyridine
CID 119100620
2-methoxy-3-[1-(4-propylphenyl)sulfonylpyrrolidin-3-yl]oxypyrazine
CID 90637218
4-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]oxypyridine-2-carboxamide
CID 122257105
(3S)-1-(3-chloro-2-methylphenyl)sulfonyl-3-methylsulfonylpyrrolidine
CID 97354839
1-(3-chloro-2-methylphenyl)sulfonyl-4-naphthalen-2-yloxypiperidine
CID 101248459
1-[1-(3-chloro-2-methylphenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine
CID 63263835
3-bromo-2-[(3R)-1-(2-methoxy-5-methylphenyl)sulfonylpyrrolidin-3-yl]oxypyridine
CID 129417204
2-[1-(2-methoxyphenyl)sulfonylpyrrolidin-3-yl]oxypyrazine
CID 90636391

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chloro-2-methylphenyl)sulfonylpyrrolidin-3-yl]oxy-3-methoxypyrazine?
The IUPAC name of 2-[1-(3-chloro-2-methylphenyl)sulfonylpyrrolidin-3-yl]oxy-3-methoxypyrazine (CID 90637208) is 2-[1-(3-chloro-2-methylphenyl)sulfonylpyrrolidin-3-yl]oxy-3-methoxypyrazine.
What is the SMILES notation for 2-[1-(3-chloro-2-methylphenyl)sulfonylpyrrolidin-3-yl]oxy-3-methoxypyrazine?
The canonical SMILES for 2-[1-(3-chloro-2-methylphenyl)sulfonylpyrrolidin-3-yl]oxy-3-methoxypyrazine is COc1nccnc1OC1CCN(S(=O)(=O)c2cccc(Cl)c2C)C1.
What is the InChIKey of 2-[1-(3-chloro-2-methylphenyl)sulfonylpyrrolidin-3-yl]oxy-3-methoxypyrazine?
The InChIKey is HTIWZYIXKYHVEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O4S/c1-11-13(17)4-3-5-14(11)25(21,22)20-9-6-12(10-20)24-16-15(23-2)18-7-8-19-16/h3-5,7-8,12H,6,9-10H2,1-2H3.
What are the key properties of 2-[1-(3-chloro-2-methylphenyl)sulfonylpyrrolidin-3-yl]oxy-3-methoxypyrazine?
2-[1-(3-chloro-2-methylphenyl)sulfonylpyrrolidin-3-yl]oxy-3-methoxypyrazine has a molecular weight of 383.86 g/mol, XLogP of 2.29, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chloro-2-methylphenyl)sulfonylpyrrolidin-3-yl]oxy-3-methoxypyrazine is sourced from PubChem (CID 90637208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).