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

C19H18N2O5S — CID 121389395

IUPACN-[8-(2-oxochromen-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1COCc2c(-c3ccc4oc(=O)ccc4c3)cncc21
InChIInChI=1S/C19H18N2O5S/c1-2-27(23,24)21-17-11-25-10-16-14(8-20-9-15(16)17)12-3-5-18-13(7-12)4-6-19(22)26-18/h3-9,17,21H,2,10-11H2,1H3
InChIKeyHGWFCFROEALPLV-UHFFFAOYSA-N
MW386.43 g/mol
LogP2.37
Rot. Bonds4

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

N-[8-(2-oxochromen-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]ethanesulfonamide (PubChem CID 121389395) has the molecular formula C19H18N2O5S and a molecular weight of 386.43 g/mol. Its IUPAC name is N-[8-(2-oxochromen-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[8-(2-oxochromen-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]ethanesulfonamide
PubChem CID121389395
Molecular FormulaC19H18N2O5S
Molecular Weight386.43 g/mol
Exact Mass386.09
IUPAC NameN-[8-(2-oxochromen-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1COCc2c(-c3ccc4oc(=O)ccc4c3)cncc21
InChIInChI=1S/C19H18N2O5S/c1-2-27(23,24)21-17-11-25-10-16-14(8-20-9-15(16)17)12-3-5-18-13(7-12)4-6-19(22)26-18/h3-9,17,21H,2,10-11H2,1H3
InChIKeyHGWFCFROEALPLV-UHFFFAOYSA-N
XLogP2.37
TPSA98.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[8-(2-oxochromen-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]ethanesulfonamide?
The IUPAC name of N-[8-(2-oxochromen-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]ethanesulfonamide (CID 121389395) is N-[8-(2-oxochromen-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]ethanesulfonamide.
What is the SMILES notation for N-[8-(2-oxochromen-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]ethanesulfonamide?
The canonical SMILES for N-[8-(2-oxochromen-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]ethanesulfonamide is CCS(=O)(=O)NC1COCc2c(-c3ccc4oc(=O)ccc4c3)cncc21.
What is the InChIKey of N-[8-(2-oxochromen-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]ethanesulfonamide?
The InChIKey is HGWFCFROEALPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O5S/c1-2-27(23,24)21-17-11-25-10-16-14(8-20-9-15(16)17)12-3-5-18-13(7-12)4-6-19(22)26-18/h3-9,17,21H,2,10-11H2,1H3.
What are the key properties of N-[8-(2-oxochromen-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]ethanesulfonamide?
N-[8-(2-oxochromen-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]ethanesulfonamide has a molecular weight of 386.43 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-(2-oxochromen-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]ethanesulfonamide is sourced from PubChem (CID 121389395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).