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

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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).