ethyl 2-chlorosulfonyl-5-(oxan-4-ylmethoxy)pyridine-4-carboxylate

C14H18ClNO6S — CID 155021895

IUPACethyl 2-chlorosulfonyl-5-(oxan-4-ylmethoxy)pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(S(=O)(=O)Cl)ncc1OCC1CCOCC1
InChIInChI=1S/C14H18ClNO6S/c1-2-21-14(17)11-7-13(23(15,18)19)16-8-12(11)22-9-10-3-5-20-6-4-10/h7-8,10H,2-6,9H2,1H3
InChIKeyGMWQEMDARROCBV-UHFFFAOYSA-N
MW363.82 g/mol
LogP1.99
Rot. Bonds6

About ethyl 2-chlorosulfonyl-5-(oxan-4-ylmethoxy)pyridine-4-carboxylate

ethyl 2-chlorosulfonyl-5-(oxan-4-ylmethoxy)pyridine-4-carboxylate (PubChem CID 155021895) has the molecular formula C14H18ClNO6S and a molecular weight of 363.82 g/mol. Its IUPAC name is ethyl 2-chlorosulfonyl-5-(oxan-4-ylmethoxy)pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-chlorosulfonyl-5-(oxan-4-ylmethoxy)pyridine-4-carboxylate
PubChem CID155021895
Molecular FormulaC14H18ClNO6S
Molecular Weight363.82 g/mol
Exact Mass363.05
IUPAC Nameethyl 2-chlorosulfonyl-5-(oxan-4-ylmethoxy)pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(S(=O)(=O)Cl)ncc1OCC1CCOCC1
InChIInChI=1S/C14H18ClNO6S/c1-2-21-14(17)11-7-13(23(15,18)19)16-8-12(11)22-9-10-3-5-20-6-4-10/h7-8,10H,2-6,9H2,1H3
InChIKeyGMWQEMDARROCBV-UHFFFAOYSA-N
XLogP1.99
TPSA91.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.82
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-chlorosulfonyl-5-(oxan-4-ylmethoxy)pyridine-4-carboxylate?
The IUPAC name of ethyl 2-chlorosulfonyl-5-(oxan-4-ylmethoxy)pyridine-4-carboxylate (CID 155021895) is ethyl 2-chlorosulfonyl-5-(oxan-4-ylmethoxy)pyridine-4-carboxylate.
What is the SMILES notation for ethyl 2-chlorosulfonyl-5-(oxan-4-ylmethoxy)pyridine-4-carboxylate?
The canonical SMILES for ethyl 2-chlorosulfonyl-5-(oxan-4-ylmethoxy)pyridine-4-carboxylate is CCOC(=O)c1cc(S(=O)(=O)Cl)ncc1OCC1CCOCC1.
What is the InChIKey of ethyl 2-chlorosulfonyl-5-(oxan-4-ylmethoxy)pyridine-4-carboxylate?
The InChIKey is GMWQEMDARROCBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO6S/c1-2-21-14(17)11-7-13(23(15,18)19)16-8-12(11)22-9-10-3-5-20-6-4-10/h7-8,10H,2-6,9H2,1H3.
What are the key properties of ethyl 2-chlorosulfonyl-5-(oxan-4-ylmethoxy)pyridine-4-carboxylate?
ethyl 2-chlorosulfonyl-5-(oxan-4-ylmethoxy)pyridine-4-carboxylate has a molecular weight of 363.82 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 ethyl 2-chlorosulfonyl-5-(oxan-4-ylmethoxy)pyridine-4-carboxylate is sourced from PubChem (CID 155021895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).