N-[2-(3,4-dimethoxyphenyl)-3-hydroxy-4-oxo-6-phenoxychromen-7-yl]methanesulfonamide

C24H21NO8S — CID 14722413

IUPACN-[2-(3,4-dimethoxyphenyl)-3-hydroxy-4-oxo-6-phenoxychromen-7-yl]methanesulfonamide
SMILESCOc1ccc(-c2oc3cc(NS(C)(=O)=O)c(Oc4ccccc4)cc3c(=O)c2O)cc1OC
InChIInChI=1S/C24H21NO8S/c1-30-18-10-9-14(11-21(18)31-2)24-23(27)22(26)16-12-20(32-15-7-5-4-6-8-15)17(13-19(16)33-24)25-34(3,28)29/h4-13,25,27H,1-3H3
InChIKeyFYORFJVLZXLRON-UHFFFAOYSA-N
MW483.50 g/mol
LogP4.35
Rot. Bonds7

About N-[2-(3,4-dimethoxyphenyl)-3-hydroxy-4-oxo-6-phenoxychromen-7-yl]methanesulfonamide

N-[2-(3,4-dimethoxyphenyl)-3-hydroxy-4-oxo-6-phenoxychromen-7-yl]methanesulfonamide (PubChem CID 14722413) has the molecular formula C24H21NO8S and a molecular weight of 483.50 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)-3-hydroxy-4-oxo-6-phenoxychromen-7-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)-3-hydroxy-4-oxo-6-phenoxychromen-7-yl]methanesulfonamide
PubChem CID14722413
Molecular FormulaC24H21NO8S
Molecular Weight483.50 g/mol
Exact Mass483.10
IUPAC NameN-[2-(3,4-dimethoxyphenyl)-3-hydroxy-4-oxo-6-phenoxychromen-7-yl]methanesulfonamide
SMILESCOc1ccc(-c2oc3cc(NS(C)(=O)=O)c(Oc4ccccc4)cc3c(=O)c2O)cc1OC
InChIInChI=1S/C24H21NO8S/c1-30-18-10-9-14(11-21(18)31-2)24-23(27)22(26)16-12-20(32-15-7-5-4-6-8-15)17(13-19(16)33-24)25-34(3,28)29/h4-13,25,27H,1-3H3
InChIKeyFYORFJVLZXLRON-UHFFFAOYSA-N
XLogP4.35
TPSA124.30 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.50
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)-3-hydroxy-4-oxo-6-phenoxychromen-7-yl]methanesulfonamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)-3-hydroxy-4-oxo-6-phenoxychromen-7-yl]methanesulfonamide (CID 14722413) is N-[2-(3,4-dimethoxyphenyl)-3-hydroxy-4-oxo-6-phenoxychromen-7-yl]methanesulfonamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)-3-hydroxy-4-oxo-6-phenoxychromen-7-yl]methanesulfonamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)-3-hydroxy-4-oxo-6-phenoxychromen-7-yl]methanesulfonamide is COc1ccc(-c2oc3cc(NS(C)(=O)=O)c(Oc4ccccc4)cc3c(=O)c2O)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)-3-hydroxy-4-oxo-6-phenoxychromen-7-yl]methanesulfonamide?
The InChIKey is FYORFJVLZXLRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO8S/c1-30-18-10-9-14(11-21(18)31-2)24-23(27)22(26)16-12-20(32-15-7-5-4-6-8-15)17(13-19(16)33-24)25-34(3,28)29/h4-13,25,27H,1-3H3.
What are the key properties of N-[2-(3,4-dimethoxyphenyl)-3-hydroxy-4-oxo-6-phenoxychromen-7-yl]methanesulfonamide?
N-[2-(3,4-dimethoxyphenyl)-3-hydroxy-4-oxo-6-phenoxychromen-7-yl]methanesulfonamide has a molecular weight of 483.50 g/mol, XLogP of 4.35, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)-3-hydroxy-4-oxo-6-phenoxychromen-7-yl]methanesulfonamide is sourced from PubChem (CID 14722413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).