3-[(1R)-1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethoxy]pyridine-2-sulfonamide

C24H22N2O5S — CID 171549219

IUPAC3-[(1R)-1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethoxy]pyridine-2-sulfonamide
SMILESCc1cc([C@@H](C)Oc2cccnc2S(N)(=O)=O)c2oc(-c3ccccc3)c(C)c(=O)c2c1
InChIInChI=1S/C24H22N2O5S/c1-14-12-18(16(3)30-20-10-7-11-26-24(20)32(25,28)29)23-19(13-14)21(27)15(2)22(31-23)17-8-5-4-6-9-17/h4-13,16H,1-3H3,(H2,25,28,29)/t16-/m1/s1
InChIKeyURJHZGXLHCCNGV-MRXNPFEDSA-N
MW450.52 g/mol
LogP4.26
Rot. Bonds5

About 3-[(1R)-1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethoxy]pyridine-2-sulfonamide

3-[(1R)-1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethoxy]pyridine-2-sulfonamide (PubChem CID 171549219) has the molecular formula C24H22N2O5S and a molecular weight of 450.52 g/mol. Its IUPAC name is 3-[(1R)-1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethoxy]pyridine-2-sulfonamide.

Molecular Properties

Compound Name3-[(1R)-1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethoxy]pyridine-2-sulfonamide
PubChem CID171549219
Molecular FormulaC24H22N2O5S
Molecular Weight450.52 g/mol
Exact Mass450.12
IUPAC Name3-[(1R)-1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethoxy]pyridine-2-sulfonamide
SMILESCc1cc([C@@H](C)Oc2cccnc2S(N)(=O)=O)c2oc(-c3ccccc3)c(C)c(=O)c2c1
InChIInChI=1S/C24H22N2O5S/c1-14-12-18(16(3)30-20-10-7-11-26-24(20)32(25,28)29)23-19(13-14)21(27)15(2)22(31-23)17-8-5-4-6-9-17/h4-13,16H,1-3H3,(H2,25,28,29)/t16-/m1/s1
InChIKeyURJHZGXLHCCNGV-MRXNPFEDSA-N
XLogP4.26
TPSA112.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.52
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[(1R)-1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethoxy]pyridine-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(1R)-1-(2-furo[3,2-b]pyridin-6-yl-3,6-dimethyl-4-oxochromen-8-yl)ethoxy]pyridine-2-sulfonamide
CID 171549332
3-[(1R)-1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethoxy]-N'-hydroxypyridine-2-carboximidamide
CID 171611121
3-[(1R)-1-[3,6-dimethyl-2-(1,2-oxazol-4-yl)-4-oxochromen-8-yl]ethoxy]-6-methylpyridine-2-sulfonamide
CID 171549065
6-chloro-3-[(1R)-1-(3,6-dimethyl-4-oxo-2-pyrazolo[1,5-a]pyrimidin-6-ylchromen-8-yl)ethoxy]pyridine-2-sulfonamide
CID 171611180
8-[1-[(2-fluoro-3-pyridinyl)amino]ethyl]-3,6-dimethyl-2-phenylchromen-4-one
CID 169270678
8-(1-aminoethyl)-3,6-dimethyl-2-phenylchromen-4-one
CID 166111500
6-chloro-3-[(1R)-1-(2-imidazo[1,2-a]pyrimidin-6-yl-3,6-dimethyl-4-oxochromen-8-yl)ethoxy]pyridine-2-sulfonamide
CID 171611174
8-[(1R)-1-hydroxyethyl]-3,6-dimethyl-2-phenylchromen-4-one
CID 166111304
6-chloro-3-[(1R)-1-[2-[2-(1-cyanocyclopropyl)pyrimidin-5-yl]-3,6-dimethyl-4-oxochromen-8-yl]ethoxy]pyridine-2-sulfonamide
CID 171549175
8-[(1R)-1-[[2-(difluoromethyl)-3-pyridinyl]amino]ethyl]-3,6-dimethyl-2-phenylchromen-4-one
CID 169269764
8-[1-[[2-(2-fluorophenyl)-3-pyridinyl]amino]ethyl]-3,6-dimethyl-2-phenylchromen-4-one
CID 174203272
8-[(1R)-1-[[2-(2,6-difluorophenyl)-3-pyridinyl]amino]ethyl]-3,6-dimethyl-2-phenylchromen-4-one
CID 174170867

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethoxy]pyridine-2-sulfonamide?
The IUPAC name of 3-[(1R)-1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethoxy]pyridine-2-sulfonamide (CID 171549219) is 3-[(1R)-1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethoxy]pyridine-2-sulfonamide.
What is the SMILES notation for 3-[(1R)-1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethoxy]pyridine-2-sulfonamide?
The canonical SMILES for 3-[(1R)-1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethoxy]pyridine-2-sulfonamide is Cc1cc([C@@H](C)Oc2cccnc2S(N)(=O)=O)c2oc(-c3ccccc3)c(C)c(=O)c2c1.
What is the InChIKey of 3-[(1R)-1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethoxy]pyridine-2-sulfonamide?
The InChIKey is URJHZGXLHCCNGV-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H22N2O5S/c1-14-12-18(16(3)30-20-10-7-11-26-24(20)32(25,28)29)23-19(13-14)21(27)15(2)22(31-23)17-8-5-4-6-9-17/h4-13,16H,1-3H3,(H2,25,28,29)/t16-/m1/s1.
What are the key properties of 3-[(1R)-1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethoxy]pyridine-2-sulfonamide?
3-[(1R)-1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethoxy]pyridine-2-sulfonamide has a molecular weight of 450.52 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethoxy]pyridine-2-sulfonamide is sourced from PubChem (CID 171549219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).