N-(5-chloro-2-pyridinyl)-4-hydroxy-1-methyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide

C15H12ClN3O4S — CID 86298598

IUPACN-(5-chloro-2-pyridinyl)-4-hydroxy-1-methyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide
SMILESCN1c2ccccc2C(O)=C(C(=O)Nc2ccc(Cl)cn2)S1(=O)=O
InChIInChI=1S/C15H12ClN3O4S/c1-19-11-5-3-2-4-10(11)13(20)14(24(19,22)23)15(21)18-12-7-6-9(16)8-17-12/h2-8,20H,1H3,(H,17,18,21)
InChIKeyFPAOCCKGNSTBLY-UHFFFAOYSA-N
MW365.80 g/mol
LogP2.38
Rot. Bonds2

About N-(5-chloro-2-pyridinyl)-4-hydroxy-1-methyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide

N-(5-chloro-2-pyridinyl)-4-hydroxy-1-methyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide (PubChem CID 86298598) has the molecular formula C15H12ClN3O4S and a molecular weight of 365.80 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-4-hydroxy-1-methyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-4-hydroxy-1-methyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide
PubChem CID86298598
Molecular FormulaC15H12ClN3O4S
Molecular Weight365.80 g/mol
Exact Mass365.02
IUPAC NameN-(5-chloro-2-pyridinyl)-4-hydroxy-1-methyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide
SMILESCN1c2ccccc2C(O)=C(C(=O)Nc2ccc(Cl)cn2)S1(=O)=O
InChIInChI=1S/C15H12ClN3O4S/c1-19-11-5-3-2-4-10(11)13(20)14(24(19,22)23)15(21)18-12-7-6-9(16)8-17-12/h2-8,20H,1H3,(H,17,18,21)
InChIKeyFPAOCCKGNSTBLY-UHFFFAOYSA-N
XLogP2.38
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.80
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-pyridinyl)-2-methylbenzamide
CID 758009
2-N-(5-chloro-2-pyridinyl)benzene-1,2-dicarboxamide
CID 131737247
5-amino-N-(5-chloro-2-pyridinyl)-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 122640442
2-N,6-N-bis(5-chloro-2-pyridinyl)pyridine-2,6-dicarboxamide
CID 3421113
N-(5-chloro-2-pyridinyl)-2-fluorobenzamide;hydrochloride
CID 163325720
N-(5-chloro-2-pyridinyl)-2-hydroxy-3-methoxybenzamide
CID 28831584
1-methyl-2,2-dioxo-N,4-diphenyl-2λ6,1-benzothiazine-3-carboxamide
CID 28592084
4-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-4,5-dicarboxamide
CID 70069811
5-chloro-N-(5-chloro-2-pyridinyl)-2-hydrazinylbenzamide
CID 55051225
5-N-(5-chloro-2-pyridinyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 55571841
4-chloro-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-3-carboxamide
CID 3136981
4,5-dichloro-1-N,2-N-bis(5-chloro-2-pyridinyl)benzene-1,2-dicarboxamide
CID 3421055

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-4-hydroxy-1-methyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-4-hydroxy-1-methyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide (CID 86298598) is N-(5-chloro-2-pyridinyl)-4-hydroxy-1-methyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-4-hydroxy-1-methyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-4-hydroxy-1-methyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide is CN1c2ccccc2C(O)=C(C(=O)Nc2ccc(Cl)cn2)S1(=O)=O.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-4-hydroxy-1-methyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide?
The InChIKey is FPAOCCKGNSTBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O4S/c1-19-11-5-3-2-4-10(11)13(20)14(24(19,22)23)15(21)18-12-7-6-9(16)8-17-12/h2-8,20H,1H3,(H,17,18,21).
What are the key properties of N-(5-chloro-2-pyridinyl)-4-hydroxy-1-methyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide?
N-(5-chloro-2-pyridinyl)-4-hydroxy-1-methyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide has a molecular weight of 365.80 g/mol, XLogP of 2.38, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-4-hydroxy-1-methyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide is sourced from PubChem (CID 86298598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).