N-[2,6-dichloro-3-(3-fluoro-8-hydroxy-5,5-dimethyl-6,6-dioxothiopyrano[4,3-b]pyridin-7-yl)phenyl]-N-methylmethanesulfonamide

C18H17Cl2FN2O5S2 — CID 118456807

IUPACN-[2,6-dichloro-3-(3-fluoro-8-hydroxy-5,5-dimethyl-6,6-dioxothiopyrano[4,3-b]pyridin-7-yl)phenyl]-N-methylmethanesulfonamide
SMILESCN(c1c(Cl)ccc(C2=C(O)c3ncc(F)cc3C(C)(C)S2(=O)=O)c1Cl)S(C)(=O)=O
InChIInChI=1S/C18H17Cl2FN2O5S2/c1-18(2)11-7-9(21)8-22-14(11)16(24)17(30(18,27)28)10-5-6-12(19)15(13(10)20)23(3)29(4,25)26/h5-8,24H,1-4H3
InChIKeyZAZRKQZUEKRSTG-UHFFFAOYSA-N
MW495.38 g/mol
LogP3.97
Rot. Bonds3

About N-[2,6-dichloro-3-(3-fluoro-8-hydroxy-5,5-dimethyl-6,6-dioxothiopyrano[4,3-b]pyridin-7-yl)phenyl]-N-methylmethanesulfonamide

N-[2,6-dichloro-3-(3-fluoro-8-hydroxy-5,5-dimethyl-6,6-dioxothiopyrano[4,3-b]pyridin-7-yl)phenyl]-N-methylmethanesulfonamide (PubChem CID 118456807) has the molecular formula C18H17Cl2FN2O5S2 and a molecular weight of 495.38 g/mol. Its IUPAC name is N-[2,6-dichloro-3-(3-fluoro-8-hydroxy-5,5-dimethyl-6,6-dioxothiopyrano[4,3-b]pyridin-7-yl)phenyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[2,6-dichloro-3-(3-fluoro-8-hydroxy-5,5-dimethyl-6,6-dioxothiopyrano[4,3-b]pyridin-7-yl)phenyl]-N-methylmethanesulfonamide
PubChem CID118456807
Molecular FormulaC18H17Cl2FN2O5S2
Molecular Weight495.38 g/mol
Exact Mass493.99
IUPAC NameN-[2,6-dichloro-3-(3-fluoro-8-hydroxy-5,5-dimethyl-6,6-dioxothiopyrano[4,3-b]pyridin-7-yl)phenyl]-N-methylmethanesulfonamide
SMILESCN(c1c(Cl)ccc(C2=C(O)c3ncc(F)cc3C(C)(C)S2(=O)=O)c1Cl)S(C)(=O)=O
InChIInChI=1S/C18H17Cl2FN2O5S2/c1-18(2)11-7-9(21)8-22-14(11)16(24)17(30(18,27)28)10-5-6-12(19)15(13(10)20)23(3)29(4,25)26/h5-8,24H,1-4H3
InChIKeyZAZRKQZUEKRSTG-UHFFFAOYSA-N
XLogP3.97
TPSA104.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.38
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2,6-dichloro-3-(3-fluoro-8-hydroxy-5,5-dimethyl-6,6-dioxothiopyrano[4,3-b]pyridin-7-yl)phenyl]-N-methylmethanesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2,6-dichloro-3-(3-fluoro-8-hydroxy-5,5-dimethyl-6,6-dioxothiopyrano[4,3-b]pyridin-7-yl)phenyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[2,6-dichloro-3-(3-fluoro-8-hydroxy-5,5-dimethyl-6,6-dioxothiopyrano[4,3-b]pyridin-7-yl)phenyl]-N-methylmethanesulfonamide (CID 118456807) is N-[2,6-dichloro-3-(3-fluoro-8-hydroxy-5,5-dimethyl-6,6-dioxothiopyrano[4,3-b]pyridin-7-yl)phenyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[2,6-dichloro-3-(3-fluoro-8-hydroxy-5,5-dimethyl-6,6-dioxothiopyrano[4,3-b]pyridin-7-yl)phenyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[2,6-dichloro-3-(3-fluoro-8-hydroxy-5,5-dimethyl-6,6-dioxothiopyrano[4,3-b]pyridin-7-yl)phenyl]-N-methylmethanesulfonamide is CN(c1c(Cl)ccc(C2=C(O)c3ncc(F)cc3C(C)(C)S2(=O)=O)c1Cl)S(C)(=O)=O.
What is the InChIKey of N-[2,6-dichloro-3-(3-fluoro-8-hydroxy-5,5-dimethyl-6,6-dioxothiopyrano[4,3-b]pyridin-7-yl)phenyl]-N-methylmethanesulfonamide?
The InChIKey is ZAZRKQZUEKRSTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2FN2O5S2/c1-18(2)11-7-9(21)8-22-14(11)16(24)17(30(18,27)28)10-5-6-12(19)15(13(10)20)23(3)29(4,25)26/h5-8,24H,1-4H3.
What are the key properties of N-[2,6-dichloro-3-(3-fluoro-8-hydroxy-5,5-dimethyl-6,6-dioxothiopyrano[4,3-b]pyridin-7-yl)phenyl]-N-methylmethanesulfonamide?
N-[2,6-dichloro-3-(3-fluoro-8-hydroxy-5,5-dimethyl-6,6-dioxothiopyrano[4,3-b]pyridin-7-yl)phenyl]-N-methylmethanesulfonamide has a molecular weight of 495.38 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-dichloro-3-(3-fluoro-8-hydroxy-5,5-dimethyl-6,6-dioxothiopyrano[4,3-b]pyridin-7-yl)phenyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 118456807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).