2,2-dimethyl-4-(2-oxo-1-pyridinyl)-N-(2,3,4,5,6-pentadeuteriophenyl)chromene-6-sulfonamide

C22H20N2O4S — CID 10949696

IUPAC2,2-dimethyl-4-(2-oxo-1-pyridinyl)-N-(2,3,4,5,6-pentadeuteriophenyl)chromene-6-sulfonamide
SMILES[2H]c1c([2H])c([2H])c(NS(=O)(=O)c2ccc3c(c2)C(n2ccccc2=O)=CC(C)(C)O3)c([2H])c1[2H]
InChIInChI=1S/C22H20N2O4S/c1-22(2)15-19(24-13-7-6-10-21(24)25)18-14-17(11-12-20(18)28-22)29(26,27)23-16-8-4-3-5-9-16/h3-15,23H,1-2H3/i3D,4D,5D,8D,9D
InChIKeyWVOBQVYJGNPWPM-YQYLVRRTSA-N
MW413.51 g/mol
LogP3.71
Rot. Bonds4

About 2,2-dimethyl-4-(2-oxo-1-pyridinyl)-N-(2,3,4,5,6-pentadeuteriophenyl)chromene-6-sulfonamide

2,2-dimethyl-4-(2-oxo-1-pyridinyl)-N-(2,3,4,5,6-pentadeuteriophenyl)chromene-6-sulfonamide (PubChem CID 10949696) has the molecular formula C22H20N2O4S and a molecular weight of 413.51 g/mol. Its IUPAC name is 2,2-dimethyl-4-(2-oxo-1-pyridinyl)-N-(2,3,4,5,6-pentadeuteriophenyl)chromene-6-sulfonamide.

Molecular Properties

Compound Name2,2-dimethyl-4-(2-oxo-1-pyridinyl)-N-(2,3,4,5,6-pentadeuteriophenyl)chromene-6-sulfonamide
PubChem CID10949696
Molecular FormulaC22H20N2O4S
Molecular Weight413.51 g/mol
Exact Mass413.15
IUPAC Name2,2-dimethyl-4-(2-oxo-1-pyridinyl)-N-(2,3,4,5,6-pentadeuteriophenyl)chromene-6-sulfonamide
SMILES[2H]c1c([2H])c([2H])c(NS(=O)(=O)c2ccc3c(c2)C(n2ccccc2=O)=CC(C)(C)O3)c([2H])c1[2H]
InChIInChI=1S/C22H20N2O4S/c1-22(2)15-19(24-13-7-6-10-21(24)25)18-14-17(11-12-20(18)28-22)29(26,27)23-16-8-4-3-5-9-16/h3-15,23H,1-2H3/i3D,4D,5D,8D,9D
InChIKeyWVOBQVYJGNPWPM-YQYLVRRTSA-N
XLogP3.71
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.51
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-(2-oxo-1-pyridinyl)-N-(2,3,4,5,6-pentadeuteriophenyl)chromene-6-sulfonamide?
The IUPAC name of 2,2-dimethyl-4-(2-oxo-1-pyridinyl)-N-(2,3,4,5,6-pentadeuteriophenyl)chromene-6-sulfonamide (CID 10949696) is 2,2-dimethyl-4-(2-oxo-1-pyridinyl)-N-(2,3,4,5,6-pentadeuteriophenyl)chromene-6-sulfonamide.
What is the SMILES notation for 2,2-dimethyl-4-(2-oxo-1-pyridinyl)-N-(2,3,4,5,6-pentadeuteriophenyl)chromene-6-sulfonamide?
The canonical SMILES for 2,2-dimethyl-4-(2-oxo-1-pyridinyl)-N-(2,3,4,5,6-pentadeuteriophenyl)chromene-6-sulfonamide is [2H]c1c([2H])c([2H])c(NS(=O)(=O)c2ccc3c(c2)C(n2ccccc2=O)=CC(C)(C)O3)c([2H])c1[2H].
What is the InChIKey of 2,2-dimethyl-4-(2-oxo-1-pyridinyl)-N-(2,3,4,5,6-pentadeuteriophenyl)chromene-6-sulfonamide?
The InChIKey is WVOBQVYJGNPWPM-YQYLVRRTSA-N. The full InChI is InChI=1S/C22H20N2O4S/c1-22(2)15-19(24-13-7-6-10-21(24)25)18-14-17(11-12-20(18)28-22)29(26,27)23-16-8-4-3-5-9-16/h3-15,23H,1-2H3/i3D,4D,5D,8D,9D.
What are the key properties of 2,2-dimethyl-4-(2-oxo-1-pyridinyl)-N-(2,3,4,5,6-pentadeuteriophenyl)chromene-6-sulfonamide?
2,2-dimethyl-4-(2-oxo-1-pyridinyl)-N-(2,3,4,5,6-pentadeuteriophenyl)chromene-6-sulfonamide has a molecular weight of 413.51 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-(2-oxo-1-pyridinyl)-N-(2,3,4,5,6-pentadeuteriophenyl)chromene-6-sulfonamide is sourced from PubChem (CID 10949696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).