2-chloro-N-(6,7-dimethoxy-4-oxo-3,1-benzothiazin-2-yl)-4-fluorobenzamide

C17H12ClFN2O4S — CID 2810152

IUPAC2-chloro-N-(6,7-dimethoxy-4-oxo-3,1-benzothiazin-2-yl)-4-fluorobenzamide
SMILESCOc1cc2nc(NC(=O)c3ccc(F)cc3Cl)sc(=O)c2cc1OC
InChIInChI=1S/C17H12ClFN2O4S/c1-24-13-6-10-12(7-14(13)25-2)20-17(26-16(10)23)21-15(22)9-4-3-8(19)5-11(9)18/h3-7H,1-2H3,(H,20,21,22)
InChIKeyVDYZKZUXNOXOHG-UHFFFAOYSA-N
MW394.81 g/mol
LogP3.72
Rot. Bonds4

About 2-chloro-N-(6,7-dimethoxy-4-oxo-3,1-benzothiazin-2-yl)-4-fluorobenzamide

2-chloro-N-(6,7-dimethoxy-4-oxo-3,1-benzothiazin-2-yl)-4-fluorobenzamide (PubChem CID 2810152) has the molecular formula C17H12ClFN2O4S and a molecular weight of 394.81 g/mol. Its IUPAC name is 2-chloro-N-(6,7-dimethoxy-4-oxo-3,1-benzothiazin-2-yl)-4-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-(6,7-dimethoxy-4-oxo-3,1-benzothiazin-2-yl)-4-fluorobenzamide
PubChem CID2810152
Molecular FormulaC17H12ClFN2O4S
Molecular Weight394.81 g/mol
Exact Mass394.02
IUPAC Name2-chloro-N-(6,7-dimethoxy-4-oxo-3,1-benzothiazin-2-yl)-4-fluorobenzamide
SMILESCOc1cc2nc(NC(=O)c3ccc(F)cc3Cl)sc(=O)c2cc1OC
InChIInChI=1S/C17H12ClFN2O4S/c1-24-13-6-10-12(7-14(13)25-2)20-17(26-16(10)23)21-15(22)9-4-3-8(19)5-11(9)18/h3-7H,1-2H3,(H,20,21,22)
InChIKeyVDYZKZUXNOXOHG-UHFFFAOYSA-N
XLogP3.72
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.81
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-(6,7-dimethoxy-4-oxo-1,4-dihydroquinazolin-2-yl)benzamide
CID 135399509
N-(6,7-dimethoxy-4-oxo-1,4-dihydroquinazolin-2-yl)benzamide
CID 135399549
N-(6,7-dimethoxy-4-oxo-3,1-benzothiazin-2-yl)benzamide
CID 2810066
N-butyl-2-{[6,7-dimethoxy-3-(4-methoxybenzyl)-4-oxo-3,4-dihydroquinazolin-2-yl]thio}acetamide
CID 4069677
2-(3-chloro-4-fluoroanilino)-10H-[1,3]dioxolo[4,5-g][1,3,4]thiadiazolo[2,3-b]quinazolin-10-one
CID 15988065
4-chloro-N-(6,7-dimethoxy-4-oxo-3,1-benzothiazin-2-yl)benzamide
CID 2810145
2-[3-[(4-chlorophenyl)methyl]-6,7-dimethoxy-4-oxoquinazolin-2-yl]sulfanyl-N,N-diethylacetamide
CID 4243378
3-(4-Chlorophenyl)-6,7-dimethoxy-2-[(4-methoxyphenyl)methylsulfanyl]quinazolin-4-one
CID 134139321
2-[(2-chlorophenyl)methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 136008105
2-[(4-chlorophenyl)methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 136008106
N-(6,7-dimethoxy-4-oxo-3,1-benzothiazin-2-yl)acetamide
CID 2810228
N-(3-chloro-4-fluorophenyl)-2-(6,7-dimethoxy-4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide
CID 2810753

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(6,7-dimethoxy-4-oxo-3,1-benzothiazin-2-yl)-4-fluorobenzamide?
The IUPAC name of 2-chloro-N-(6,7-dimethoxy-4-oxo-3,1-benzothiazin-2-yl)-4-fluorobenzamide (CID 2810152) is 2-chloro-N-(6,7-dimethoxy-4-oxo-3,1-benzothiazin-2-yl)-4-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-(6,7-dimethoxy-4-oxo-3,1-benzothiazin-2-yl)-4-fluorobenzamide?
The canonical SMILES for 2-chloro-N-(6,7-dimethoxy-4-oxo-3,1-benzothiazin-2-yl)-4-fluorobenzamide is COc1cc2nc(NC(=O)c3ccc(F)cc3Cl)sc(=O)c2cc1OC.
What is the InChIKey of 2-chloro-N-(6,7-dimethoxy-4-oxo-3,1-benzothiazin-2-yl)-4-fluorobenzamide?
The InChIKey is VDYZKZUXNOXOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClFN2O4S/c1-24-13-6-10-12(7-14(13)25-2)20-17(26-16(10)23)21-15(22)9-4-3-8(19)5-11(9)18/h3-7H,1-2H3,(H,20,21,22).
What are the key properties of 2-chloro-N-(6,7-dimethoxy-4-oxo-3,1-benzothiazin-2-yl)-4-fluorobenzamide?
2-chloro-N-(6,7-dimethoxy-4-oxo-3,1-benzothiazin-2-yl)-4-fluorobenzamide has a molecular weight of 394.81 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(6,7-dimethoxy-4-oxo-3,1-benzothiazin-2-yl)-4-fluorobenzamide is sourced from PubChem (CID 2810152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).