N-(6,8-dichloro-4-hydroxy-2-oxochromen-3-yl)-4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide

C19H12Cl2N2O7S — CID 154507392

IUPACN-(6,8-dichloro-4-hydroxy-2-oxochromen-3-yl)-4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
SMILESCN1C(C(=O)Nc2c(O)c3cc(Cl)cc(Cl)c3oc2=O)=C(O)c2ccccc2S1(=O)=O
InChIInChI=1S/C19H12Cl2N2O7S/c1-23-14(16(25)9-4-2-3-5-12(9)31(23,28)29)18(26)22-13-15(24)10-6-8(20)7-11(21)17(10)30-19(13)27/h2-7,24-25H,1H3,(H,22,26)
InChIKeyDLGOPYORVZIFIZ-UHFFFAOYSA-N
MW483.29 g/mol
LogP3.30
Rot. Bonds2

About N-(6,8-dichloro-4-hydroxy-2-oxochromen-3-yl)-4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide

N-(6,8-dichloro-4-hydroxy-2-oxochromen-3-yl)-4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide (PubChem CID 154507392) has the molecular formula C19H12Cl2N2O7S and a molecular weight of 483.29 g/mol. Its IUPAC name is N-(6,8-dichloro-4-hydroxy-2-oxochromen-3-yl)-4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide.

Molecular Properties

Compound NameN-(6,8-dichloro-4-hydroxy-2-oxochromen-3-yl)-4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
PubChem CID154507392
Molecular FormulaC19H12Cl2N2O7S
Molecular Weight483.29 g/mol
Exact Mass481.97
IUPAC NameN-(6,8-dichloro-4-hydroxy-2-oxochromen-3-yl)-4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
SMILESCN1C(C(=O)Nc2c(O)c3cc(Cl)cc(Cl)c3oc2=O)=C(O)c2ccccc2S1(=O)=O
InChIInChI=1S/C19H12Cl2N2O7S/c1-23-14(16(25)9-4-2-3-5-12(9)31(23,28)29)18(26)22-13-15(24)10-6-8(20)7-11(21)17(10)30-19(13)27/h2-7,24-25H,1H3,(H,22,26)
InChIKeyDLGOPYORVZIFIZ-UHFFFAOYSA-N
XLogP3.30
TPSA137.15 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.29
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-N-(4-hydroxy-8-methyl-2-oxochromen-3-yl)-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
CID 154507393
N-(3-chlorophenyl)-4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
CID 141335052
4-hydroxy-2-methyl-N-(4-methyl-2-oxochromen-7-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
CID 154337756
N-(furan-2-yl)-4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
CID 154119807
N-(6-chloro-2-pyridinyl)-4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
CID 54720115
4-hydroxy-2-methyl-N-(6-methyl-4-oxochromen-3-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
CID 154171358
4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-yl-1λ6,2-benzothiazine-3-carboxamide;hydrate
CID 54705052
4-hydroxy-2-methyl-N-(1-methylpyridin-1-ium-2-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
CID 54715406
1,4-dioxane;tetrakis(4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-yl-1λ6,2-benzothiazine-3-carboxamide)
CID 139145418
N-[5-(1,1-dideuterioethyl)-1,3-thiazol-2-yl]-4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
CID 59330713
N-[5-[(3,4-dichlorophenyl)methylsulfanylmethyl]-1,2-oxazol-3-yl]-4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
CID 70410637
4-hydroxy-2-methyl-N-[5-(octoxymethyl)-1,2-oxazol-3-yl]-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
CID 70411147

Frequently Asked Questions

What is the IUPAC name of N-(6,8-dichloro-4-hydroxy-2-oxochromen-3-yl)-4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide?
The IUPAC name of N-(6,8-dichloro-4-hydroxy-2-oxochromen-3-yl)-4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide (CID 154507392) is N-(6,8-dichloro-4-hydroxy-2-oxochromen-3-yl)-4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide.
What is the SMILES notation for N-(6,8-dichloro-4-hydroxy-2-oxochromen-3-yl)-4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide?
The canonical SMILES for N-(6,8-dichloro-4-hydroxy-2-oxochromen-3-yl)-4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide is CN1C(C(=O)Nc2c(O)c3cc(Cl)cc(Cl)c3oc2=O)=C(O)c2ccccc2S1(=O)=O.
What is the InChIKey of N-(6,8-dichloro-4-hydroxy-2-oxochromen-3-yl)-4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide?
The InChIKey is DLGOPYORVZIFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl2N2O7S/c1-23-14(16(25)9-4-2-3-5-12(9)31(23,28)29)18(26)22-13-15(24)10-6-8(20)7-11(21)17(10)30-19(13)27/h2-7,24-25H,1H3,(H,22,26).
What are the key properties of N-(6,8-dichloro-4-hydroxy-2-oxochromen-3-yl)-4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide?
N-(6,8-dichloro-4-hydroxy-2-oxochromen-3-yl)-4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide has a molecular weight of 483.29 g/mol, XLogP of 3.30, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,8-dichloro-4-hydroxy-2-oxochromen-3-yl)-4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide is sourced from PubChem (CID 154507392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).