2,2-dimethyl-4-(2-oxo-1-pyridinyl)-N-phenylchromene-6-sulfonamide

C22H20N2O4S — CID 11742187

IUPAC2,2-dimethyl-4-(2-oxo-1-pyridinyl)-N-phenylchromene-6-sulfonamide
SMILESCC1(C)C=C(n2ccccc2=O)c2cc(S(=O)(=O)Nc3ccccc3)ccc2O1
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
InChIKeyWVOBQVYJGNPWPM-UHFFFAOYSA-N
MW408.48 g/mol
LogP3.71
Rot. Bonds4

About 2,2-dimethyl-4-(2-oxo-1-pyridinyl)-N-phenylchromene-6-sulfonamide

2,2-dimethyl-4-(2-oxo-1-pyridinyl)-N-phenylchromene-6-sulfonamide (PubChem CID 11742187) has the molecular formula C22H20N2O4S and a molecular weight of 408.48 g/mol. Its IUPAC name is 2,2-dimethyl-4-(2-oxo-1-pyridinyl)-N-phenylchromene-6-sulfonamide.

Molecular Properties

Compound Name2,2-dimethyl-4-(2-oxo-1-pyridinyl)-N-phenylchromene-6-sulfonamide
PubChem CID11742187
Molecular FormulaC22H20N2O4S
Molecular Weight408.48 g/mol
Exact Mass408.11
IUPAC Name2,2-dimethyl-4-(2-oxo-1-pyridinyl)-N-phenylchromene-6-sulfonamide
SMILESCC1(C)C=C(n2ccccc2=O)c2cc(S(=O)(=O)Nc3ccccc3)ccc2O1
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
InChIKeyWVOBQVYJGNPWPM-UHFFFAOYSA-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 ≤ 500408.48
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-phenylchromene-6-sulfonamide?
The IUPAC name of 2,2-dimethyl-4-(2-oxo-1-pyridinyl)-N-phenylchromene-6-sulfonamide (CID 11742187) is 2,2-dimethyl-4-(2-oxo-1-pyridinyl)-N-phenylchromene-6-sulfonamide.
What is the SMILES notation for 2,2-dimethyl-4-(2-oxo-1-pyridinyl)-N-phenylchromene-6-sulfonamide?
The canonical SMILES for 2,2-dimethyl-4-(2-oxo-1-pyridinyl)-N-phenylchromene-6-sulfonamide is CC1(C)C=C(n2ccccc2=O)c2cc(S(=O)(=O)Nc3ccccc3)ccc2O1.
What is the InChIKey of 2,2-dimethyl-4-(2-oxo-1-pyridinyl)-N-phenylchromene-6-sulfonamide?
The InChIKey is WVOBQVYJGNPWPM-UHFFFAOYSA-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.
What are the key properties of 2,2-dimethyl-4-(2-oxo-1-pyridinyl)-N-phenylchromene-6-sulfonamide?
2,2-dimethyl-4-(2-oxo-1-pyridinyl)-N-phenylchromene-6-sulfonamide has a molecular weight of 408.48 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-phenylchromene-6-sulfonamide is sourced from PubChem (CID 11742187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).