2-chloro-6-[[1-(5-ethylthiophen-2-yl)sulfonylazetidin-3-yl]methoxy]pyrazine

C14H16ClN3O3S2 — CID 172893389

IUPAC2-chloro-6-[[1-(5-ethylthiophen-2-yl)sulfonylazetidin-3-yl]methoxy]pyrazine
SMILESCCc1ccc(S(=O)(=O)N2CC(COc3cncc(Cl)n3)C2)s1
InChIInChI=1S/C14H16ClN3O3S2/c1-2-11-3-4-14(22-11)23(19,20)18-7-10(8-18)9-21-13-6-16-5-12(15)17-13/h3-6,10H,2,7-9H2,1H3
InChIKeyAICTUHTULQPSBI-UHFFFAOYSA-N
MW373.89 g/mol
LogP2.45
Rot. Bonds6

About 2-chloro-6-[[1-(5-ethylthiophen-2-yl)sulfonylazetidin-3-yl]methoxy]pyrazine

2-chloro-6-[[1-(5-ethylthiophen-2-yl)sulfonylazetidin-3-yl]methoxy]pyrazine (PubChem CID 172893389) has the molecular formula C14H16ClN3O3S2 and a molecular weight of 373.89 g/mol. Its IUPAC name is 2-chloro-6-[[1-(5-ethylthiophen-2-yl)sulfonylazetidin-3-yl]methoxy]pyrazine.

Molecular Properties

Compound Name2-chloro-6-[[1-(5-ethylthiophen-2-yl)sulfonylazetidin-3-yl]methoxy]pyrazine
PubChem CID172893389
Molecular FormulaC14H16ClN3O3S2
Molecular Weight373.89 g/mol
Exact Mass373.03
IUPAC Name2-chloro-6-[[1-(5-ethylthiophen-2-yl)sulfonylazetidin-3-yl]methoxy]pyrazine
SMILESCCc1ccc(S(=O)(=O)N2CC(COc3cncc(Cl)n3)C2)s1
InChIInChI=1S/C14H16ClN3O3S2/c1-2-11-3-4-14(22-11)23(19,20)18-7-10(8-18)9-21-13-6-16-5-12(15)17-13/h3-6,10H,2,7-9H2,1H3
InChIKeyAICTUHTULQPSBI-UHFFFAOYSA-N
XLogP2.45
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.89
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[[1-(5-ethylthiophen-2-yl)sulfonylazetidin-3-yl]methoxy]pyrazine?
The IUPAC name of 2-chloro-6-[[1-(5-ethylthiophen-2-yl)sulfonylazetidin-3-yl]methoxy]pyrazine (CID 172893389) is 2-chloro-6-[[1-(5-ethylthiophen-2-yl)sulfonylazetidin-3-yl]methoxy]pyrazine.
What is the SMILES notation for 2-chloro-6-[[1-(5-ethylthiophen-2-yl)sulfonylazetidin-3-yl]methoxy]pyrazine?
The canonical SMILES for 2-chloro-6-[[1-(5-ethylthiophen-2-yl)sulfonylazetidin-3-yl]methoxy]pyrazine is CCc1ccc(S(=O)(=O)N2CC(COc3cncc(Cl)n3)C2)s1.
What is the InChIKey of 2-chloro-6-[[1-(5-ethylthiophen-2-yl)sulfonylazetidin-3-yl]methoxy]pyrazine?
The InChIKey is AICTUHTULQPSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O3S2/c1-2-11-3-4-14(22-11)23(19,20)18-7-10(8-18)9-21-13-6-16-5-12(15)17-13/h3-6,10H,2,7-9H2,1H3.
What are the key properties of 2-chloro-6-[[1-(5-ethylthiophen-2-yl)sulfonylazetidin-3-yl]methoxy]pyrazine?
2-chloro-6-[[1-(5-ethylthiophen-2-yl)sulfonylazetidin-3-yl]methoxy]pyrazine has a molecular weight of 373.89 g/mol, XLogP of 2.45, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[[1-(5-ethylthiophen-2-yl)sulfonylazetidin-3-yl]methoxy]pyrazine is sourced from PubChem (CID 172893389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).