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

C23H22N2O4S — CID 10025258

IUPACN,2,2-trimethyl-4-(2-oxo-1-pyridinyl)-N-phenylchromene-6-sulfonamide
SMILESCN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)C(n1ccccc1=O)=CC(C)(C)O2
InChIInChI=1S/C23H22N2O4S/c1-23(2)16-20(25-14-8-7-11-22(25)26)19-15-18(12-13-21(19)29-23)30(27,28)24(3)17-9-5-4-6-10-17/h4-16H,1-3H3
InChIKeyGEGXMHIWSPDDTL-UHFFFAOYSA-N
MW422.51 g/mol
LogP3.73
Rot. Bonds4

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

N,2,2-trimethyl-4-(2-oxo-1-pyridinyl)-N-phenylchromene-6-sulfonamide (PubChem CID 10025258) has the molecular formula C23H22N2O4S and a molecular weight of 422.51 g/mol. Its IUPAC name is N,2,2-trimethyl-4-(2-oxo-1-pyridinyl)-N-phenylchromene-6-sulfonamide.

Molecular Properties

Compound NameN,2,2-trimethyl-4-(2-oxo-1-pyridinyl)-N-phenylchromene-6-sulfonamide
PubChem CID10025258
Molecular FormulaC23H22N2O4S
Molecular Weight422.51 g/mol
Exact Mass422.13
IUPAC NameN,2,2-trimethyl-4-(2-oxo-1-pyridinyl)-N-phenylchromene-6-sulfonamide
SMILESCN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)C(n1ccccc1=O)=CC(C)(C)O2
InChIInChI=1S/C23H22N2O4S/c1-23(2)16-20(25-14-8-7-11-22(25)26)19-15-18(12-13-21(19)29-23)30(27,28)24(3)17-9-5-4-6-10-17/h4-16H,1-3H3
InChIKeyGEGXMHIWSPDDTL-UHFFFAOYSA-N
XLogP3.73
TPSA68.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.51
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-4-(2-oxo-1-pyridinyl)-N-phenylchromene-6-sulfonamide?
The IUPAC name of N,2,2-trimethyl-4-(2-oxo-1-pyridinyl)-N-phenylchromene-6-sulfonamide (CID 10025258) is N,2,2-trimethyl-4-(2-oxo-1-pyridinyl)-N-phenylchromene-6-sulfonamide.
What is the SMILES notation for N,2,2-trimethyl-4-(2-oxo-1-pyridinyl)-N-phenylchromene-6-sulfonamide?
The canonical SMILES for N,2,2-trimethyl-4-(2-oxo-1-pyridinyl)-N-phenylchromene-6-sulfonamide is CN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)C(n1ccccc1=O)=CC(C)(C)O2.
What is the InChIKey of N,2,2-trimethyl-4-(2-oxo-1-pyridinyl)-N-phenylchromene-6-sulfonamide?
The InChIKey is GEGXMHIWSPDDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4S/c1-23(2)16-20(25-14-8-7-11-22(25)26)19-15-18(12-13-21(19)29-23)30(27,28)24(3)17-9-5-4-6-10-17/h4-16H,1-3H3.
What are the key properties of N,2,2-trimethyl-4-(2-oxo-1-pyridinyl)-N-phenylchromene-6-sulfonamide?
N,2,2-trimethyl-4-(2-oxo-1-pyridinyl)-N-phenylchromene-6-sulfonamide has a molecular weight of 422.51 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-4-(2-oxo-1-pyridinyl)-N-phenylchromene-6-sulfonamide is sourced from PubChem (CID 10025258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).