N-[8-(4-hydroxy-3,4-dihydro-2H-chromen-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]ethanesulfonamide

C19H22N2O5S — CID 121389347

IUPACN-[8-(4-hydroxy-3,4-dihydro-2H-chromen-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1COCc2c(-c3ccc4c(c3)C(O)CCO4)cncc21
InChIInChI=1S/C19H22N2O5S/c1-2-27(23,24)21-17-11-25-10-16-14(8-20-9-15(16)17)12-3-4-19-13(7-12)18(22)5-6-26-19/h3-4,7-9,17-18,21-22H,2,5-6,10-11H2,1H3
InChIKeyXEEOJRHIOXIYGW-UHFFFAOYSA-N
MW390.46 g/mol
LogP2.08
Rot. Bonds4

About N-[8-(4-hydroxy-3,4-dihydro-2H-chromen-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]ethanesulfonamide

N-[8-(4-hydroxy-3,4-dihydro-2H-chromen-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]ethanesulfonamide (PubChem CID 121389347) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is N-[8-(4-hydroxy-3,4-dihydro-2H-chromen-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[8-(4-hydroxy-3,4-dihydro-2H-chromen-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]ethanesulfonamide
PubChem CID121389347
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC NameN-[8-(4-hydroxy-3,4-dihydro-2H-chromen-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1COCc2c(-c3ccc4c(c3)C(O)CCO4)cncc21
InChIInChI=1S/C19H22N2O5S/c1-2-27(23,24)21-17-11-25-10-16-14(8-20-9-15(16)17)12-3-4-19-13(7-12)18(22)5-6-26-19/h3-4,7-9,17-18,21-22H,2,5-6,10-11H2,1H3
InChIKeyXEEOJRHIOXIYGW-UHFFFAOYSA-N
XLogP2.08
TPSA97.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[8-(4-hydroxy-3,4-dihydro-2H-chromen-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]ethanesulfonamide?
The IUPAC name of N-[8-(4-hydroxy-3,4-dihydro-2H-chromen-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]ethanesulfonamide (CID 121389347) is N-[8-(4-hydroxy-3,4-dihydro-2H-chromen-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]ethanesulfonamide.
What is the SMILES notation for N-[8-(4-hydroxy-3,4-dihydro-2H-chromen-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]ethanesulfonamide?
The canonical SMILES for N-[8-(4-hydroxy-3,4-dihydro-2H-chromen-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]ethanesulfonamide is CCS(=O)(=O)NC1COCc2c(-c3ccc4c(c3)C(O)CCO4)cncc21.
What is the InChIKey of N-[8-(4-hydroxy-3,4-dihydro-2H-chromen-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]ethanesulfonamide?
The InChIKey is XEEOJRHIOXIYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-2-27(23,24)21-17-11-25-10-16-14(8-20-9-15(16)17)12-3-4-19-13(7-12)18(22)5-6-26-19/h3-4,7-9,17-18,21-22H,2,5-6,10-11H2,1H3.
What are the key properties of N-[8-(4-hydroxy-3,4-dihydro-2H-chromen-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]ethanesulfonamide?
N-[8-(4-hydroxy-3,4-dihydro-2H-chromen-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]ethanesulfonamide has a molecular weight of 390.46 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-(4-hydroxy-3,4-dihydro-2H-chromen-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]ethanesulfonamide is sourced from PubChem (CID 121389347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).