N-[(4-sulfamoylphenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide

C20H17N3O4S — CID 121363617

IUPACN-[(4-sulfamoylphenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)OCc2cnccc2-3)cc1
InChIInChI=1S/C20H17N3O4S/c21-28(25,26)16-4-1-13(2-5-16)10-23-20(24)14-3-6-18-17-7-8-22-11-15(17)12-27-19(18)9-14/h1-9,11H,10,12H2,(H,23,24)(H2,21,25,26)
InChIKeyJROWELWENNRWOY-UHFFFAOYSA-N
MW395.44 g/mol
LogP2.22
Rot. Bonds4

About N-[(4-sulfamoylphenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide

N-[(4-sulfamoylphenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide (PubChem CID 121363617) has the molecular formula C20H17N3O4S and a molecular weight of 395.44 g/mol. Its IUPAC name is N-[(4-sulfamoylphenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide.

Molecular Properties

Compound NameN-[(4-sulfamoylphenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
PubChem CID121363617
Molecular FormulaC20H17N3O4S
Molecular Weight395.44 g/mol
Exact Mass395.09
IUPAC NameN-[(4-sulfamoylphenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)OCc2cnccc2-3)cc1
InChIInChI=1S/C20H17N3O4S/c21-28(25,26)16-4-1-13(2-5-16)10-23-20(24)14-3-6-18-17-7-8-22-11-15(17)12-27-19(18)9-14/h1-9,11H,10,12H2,(H,23,24)(H2,21,25,26)
InChIKeyJROWELWENNRWOY-UHFFFAOYSA-N
XLogP2.22
TPSA111.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-sulfamoylphenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide?
The IUPAC name of N-[(4-sulfamoylphenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide (CID 121363617) is N-[(4-sulfamoylphenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide.
What is the SMILES notation for N-[(4-sulfamoylphenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide?
The canonical SMILES for N-[(4-sulfamoylphenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide is NS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)OCc2cnccc2-3)cc1.
What is the InChIKey of N-[(4-sulfamoylphenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide?
The InChIKey is JROWELWENNRWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O4S/c21-28(25,26)16-4-1-13(2-5-16)10-23-20(24)14-3-6-18-17-7-8-22-11-15(17)12-27-19(18)9-14/h1-9,11H,10,12H2,(H,23,24)(H2,21,25,26).
What are the key properties of N-[(4-sulfamoylphenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide?
N-[(4-sulfamoylphenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide has a molecular weight of 395.44 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-sulfamoylphenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide is sourced from PubChem (CID 121363617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).