N-(6-chloropyrazin-2-yl)-2,6-dimethyl-1,1,4-trioxo-3H-1λ6,2-benzothiazine-3-carboxamide

C15H13ClN4O4S — CID 54382917

IUPACN-(6-chloropyrazin-2-yl)-2,6-dimethyl-1,1,4-trioxo-3H-1λ6,2-benzothiazine-3-carboxamide
SMILESCc1ccc2c(c1)C(=O)C(C(=O)Nc1cncc(Cl)n1)N(C)S2(=O)=O
InChIInChI=1S/C15H13ClN4O4S/c1-8-3-4-10-9(5-8)14(21)13(20(2)25(10,23)24)15(22)19-12-7-17-6-11(16)18-12/h3-7,13H,1-2H3,(H,18,19,22)
InChIKeyVBFCLFNWMLJKGW-UHFFFAOYSA-N
MW380.81 g/mol
LogP1.26
Rot. Bonds2

About N-(6-chloropyrazin-2-yl)-2,6-dimethyl-1,1,4-trioxo-3H-1λ6,2-benzothiazine-3-carboxamide

N-(6-chloropyrazin-2-yl)-2,6-dimethyl-1,1,4-trioxo-3H-1λ6,2-benzothiazine-3-carboxamide (PubChem CID 54382917) has the molecular formula C15H13ClN4O4S and a molecular weight of 380.81 g/mol. Its IUPAC name is N-(6-chloropyrazin-2-yl)-2,6-dimethyl-1,1,4-trioxo-3H-1λ6,2-benzothiazine-3-carboxamide.

Molecular Properties

Compound NameN-(6-chloropyrazin-2-yl)-2,6-dimethyl-1,1,4-trioxo-3H-1λ6,2-benzothiazine-3-carboxamide
PubChem CID54382917
Molecular FormulaC15H13ClN4O4S
Molecular Weight380.81 g/mol
Exact Mass380.03
IUPAC NameN-(6-chloropyrazin-2-yl)-2,6-dimethyl-1,1,4-trioxo-3H-1λ6,2-benzothiazine-3-carboxamide
SMILESCc1ccc2c(c1)C(=O)C(C(=O)Nc1cncc(Cl)n1)N(C)S2(=O)=O
InChIInChI=1S/C15H13ClN4O4S/c1-8-3-4-10-9(5-8)14(21)13(20(2)25(10,23)24)15(22)19-12-7-17-6-11(16)18-12/h3-7,13H,1-2H3,(H,18,19,22)
InChIKeyVBFCLFNWMLJKGW-UHFFFAOYSA-N
XLogP1.26
TPSA109.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.81
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze N-(6-chloropyrazin-2-yl)-2,6-dimethyl-1,1,4-trioxo-3H-1λ6,2-benzothiazine-3-carboxamide with MolForge

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Related Compounds

(3S)-2-methyl-1,1,4-trioxo-N-pyridin-2-yl-3H-1lambda6,2-benzothiazine-3-carboxamide
CID 6560134
2-methyl-N-[6-(methylcarbamoyl)-2-pyridinyl]-1,1,4-trioxo-3H-1λ6,2-benzothiazine-3-carboxamide
CID 91045461
N-(6-chloropyrazin-2-yl)-2-fluoro-5-methylbenzamide
CID 104819957
4-[[(3S)-2-methyl-1,1,4-trioxo-3H-1λ6,2-benzothiazine-3-carbonyl]amino]benzoic acid
CID 7767604
7-chloro-2-methyl-N-(6-methyl-2-pyridinyl)-1,1,4-trioxo-3H-[1]benzothiolo[2,3-e]thiazine-3-carboxamide
CID 54462286
N-(6-chloropyrazin-2-yl)-2-methylcyclopentane-1-carboxamide
CID 104938117
3-(3-chlorobenzoyl)-2-methyl-1,1-dioxo-3H-1λ6,2-benzothiazin-4-one
CID 91498228
5-methyl-1,1-dioxo-2-(2-oxopropyl)-1,2-benzothiazol-3-one
CID 20608632
2-methyl-1,1,4-trioxo-N-(4-oxochromen-3-yl)-3H-1lambda6,2-benzothiazine-3-carboxamide
CID 13290575
N-(6-chloropyrazin-2-yl)butanamide
CID 115599315
N-(6-chloropyrazin-2-yl)-2-methyl-2-phenylpropanamide
CID 104820021
N-(6-chloropyrazin-2-yl)quinoxaline-2-carboxamide
CID 104938179

Frequently Asked Questions

What is the IUPAC name of N-(6-chloropyrazin-2-yl)-2,6-dimethyl-1,1,4-trioxo-3H-1λ6,2-benzothiazine-3-carboxamide?
The IUPAC name of N-(6-chloropyrazin-2-yl)-2,6-dimethyl-1,1,4-trioxo-3H-1λ6,2-benzothiazine-3-carboxamide (CID 54382917) is N-(6-chloropyrazin-2-yl)-2,6-dimethyl-1,1,4-trioxo-3H-1λ6,2-benzothiazine-3-carboxamide.
What is the SMILES notation for N-(6-chloropyrazin-2-yl)-2,6-dimethyl-1,1,4-trioxo-3H-1λ6,2-benzothiazine-3-carboxamide?
The canonical SMILES for N-(6-chloropyrazin-2-yl)-2,6-dimethyl-1,1,4-trioxo-3H-1λ6,2-benzothiazine-3-carboxamide is Cc1ccc2c(c1)C(=O)C(C(=O)Nc1cncc(Cl)n1)N(C)S2(=O)=O.
What is the InChIKey of N-(6-chloropyrazin-2-yl)-2,6-dimethyl-1,1,4-trioxo-3H-1λ6,2-benzothiazine-3-carboxamide?
The InChIKey is VBFCLFNWMLJKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O4S/c1-8-3-4-10-9(5-8)14(21)13(20(2)25(10,23)24)15(22)19-12-7-17-6-11(16)18-12/h3-7,13H,1-2H3,(H,18,19,22).
What are the key properties of N-(6-chloropyrazin-2-yl)-2,6-dimethyl-1,1,4-trioxo-3H-1λ6,2-benzothiazine-3-carboxamide?
N-(6-chloropyrazin-2-yl)-2,6-dimethyl-1,1,4-trioxo-3H-1λ6,2-benzothiazine-3-carboxamide has a molecular weight of 380.81 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloropyrazin-2-yl)-2,6-dimethyl-1,1,4-trioxo-3H-1λ6,2-benzothiazine-3-carboxamide is sourced from PubChem (CID 54382917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).