N-(5H-chromeno[3,4-c]pyridin-8-yl)-4-methylsulfonylbenzamide

C20H16N2O4S — CID 121363928

IUPACN-(5H-chromeno[3,4-c]pyridin-8-yl)-4-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)OCc2cnccc2-3)cc1
InChIInChI=1S/C20H16N2O4S/c1-27(24,25)16-5-2-13(3-6-16)20(23)22-15-4-7-18-17-8-9-21-11-14(17)12-26-19(18)10-15/h2-11H,12H2,1H3,(H,22,23)
InChIKeyICLOLGJTOXTHQA-UHFFFAOYSA-N
MW380.43 g/mol
LogP3.30
Rot. Bonds3

About N-(5H-chromeno[3,4-c]pyridin-8-yl)-4-methylsulfonylbenzamide

N-(5H-chromeno[3,4-c]pyridin-8-yl)-4-methylsulfonylbenzamide (PubChem CID 121363928) has the molecular formula C20H16N2O4S and a molecular weight of 380.43 g/mol. Its IUPAC name is N-(5H-chromeno[3,4-c]pyridin-8-yl)-4-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-(5H-chromeno[3,4-c]pyridin-8-yl)-4-methylsulfonylbenzamide
PubChem CID121363928
Molecular FormulaC20H16N2O4S
Molecular Weight380.43 g/mol
Exact Mass380.08
IUPAC NameN-(5H-chromeno[3,4-c]pyridin-8-yl)-4-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)OCc2cnccc2-3)cc1
InChIInChI=1S/C20H16N2O4S/c1-27(24,25)16-5-2-13(3-6-16)20(23)22-15-4-7-18-17-8-9-21-11-14(17)12-26-19(18)10-15/h2-11H,12H2,1H3,(H,22,23)
InChIKeyICLOLGJTOXTHQA-UHFFFAOYSA-N
XLogP3.30
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5H-chromeno[3,4-c]pyridin-8-yl)-4-methylsulfonylbenzamide?
The IUPAC name of N-(5H-chromeno[3,4-c]pyridin-8-yl)-4-methylsulfonylbenzamide (CID 121363928) is N-(5H-chromeno[3,4-c]pyridin-8-yl)-4-methylsulfonylbenzamide.
What is the SMILES notation for N-(5H-chromeno[3,4-c]pyridin-8-yl)-4-methylsulfonylbenzamide?
The canonical SMILES for N-(5H-chromeno[3,4-c]pyridin-8-yl)-4-methylsulfonylbenzamide is CS(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)OCc2cnccc2-3)cc1.
What is the InChIKey of N-(5H-chromeno[3,4-c]pyridin-8-yl)-4-methylsulfonylbenzamide?
The InChIKey is ICLOLGJTOXTHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O4S/c1-27(24,25)16-5-2-13(3-6-16)20(23)22-15-4-7-18-17-8-9-21-11-14(17)12-26-19(18)10-15/h2-11H,12H2,1H3,(H,22,23).
What are the key properties of N-(5H-chromeno[3,4-c]pyridin-8-yl)-4-methylsulfonylbenzamide?
N-(5H-chromeno[3,4-c]pyridin-8-yl)-4-methylsulfonylbenzamide has a molecular weight of 380.43 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5H-chromeno[3,4-c]pyridin-8-yl)-4-methylsulfonylbenzamide is sourced from PubChem (CID 121363928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).