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

C17H13ClN2O4S — CID 2810145

IUPAC4-chloro-N-(6,7-dimethoxy-4-oxo-3,1-benzothiazin-2-yl)benzamide
SMILESCOc1cc2nc(NC(=O)c3ccc(Cl)cc3)sc(=O)c2cc1OC
InChIInChI=1S/C17H13ClN2O4S/c1-23-13-7-11-12(8-14(13)24-2)19-17(25-16(11)22)20-15(21)9-3-5-10(18)6-4-9/h3-8H,1-2H3,(H,19,20,21)
InChIKeyJKKOBMJARKMSHM-UHFFFAOYSA-N
MW376.82 g/mol
LogP3.58
Rot. Bonds4

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

4-chloro-N-(6,7-dimethoxy-4-oxo-3,1-benzothiazin-2-yl)benzamide (PubChem CID 2810145) has the molecular formula C17H13ClN2O4S and a molecular weight of 376.82 g/mol. Its IUPAC name is 4-chloro-N-(6,7-dimethoxy-4-oxo-3,1-benzothiazin-2-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(6,7-dimethoxy-4-oxo-3,1-benzothiazin-2-yl)benzamide
PubChem CID2810145
Molecular FormulaC17H13ClN2O4S
Molecular Weight376.82 g/mol
Exact Mass376.03
IUPAC Name4-chloro-N-(6,7-dimethoxy-4-oxo-3,1-benzothiazin-2-yl)benzamide
SMILESCOc1cc2nc(NC(=O)c3ccc(Cl)cc3)sc(=O)c2cc1OC
InChIInChI=1S/C17H13ClN2O4S/c1-23-13-7-11-12(8-14(13)24-2)19-17(25-16(11)22)20-15(21)9-3-5-10(18)6-4-9/h3-8H,1-2H3,(H,19,20,21)
InChIKeyJKKOBMJARKMSHM-UHFFFAOYSA-N
XLogP3.58
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.82
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(6,7-dimethoxy-4-oxo-3,1-benzothiazin-2-yl)benzamide?
The IUPAC name of 4-chloro-N-(6,7-dimethoxy-4-oxo-3,1-benzothiazin-2-yl)benzamide (CID 2810145) is 4-chloro-N-(6,7-dimethoxy-4-oxo-3,1-benzothiazin-2-yl)benzamide.
What is the SMILES notation for 4-chloro-N-(6,7-dimethoxy-4-oxo-3,1-benzothiazin-2-yl)benzamide?
The canonical SMILES for 4-chloro-N-(6,7-dimethoxy-4-oxo-3,1-benzothiazin-2-yl)benzamide is COc1cc2nc(NC(=O)c3ccc(Cl)cc3)sc(=O)c2cc1OC.
What is the InChIKey of 4-chloro-N-(6,7-dimethoxy-4-oxo-3,1-benzothiazin-2-yl)benzamide?
The InChIKey is JKKOBMJARKMSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O4S/c1-23-13-7-11-12(8-14(13)24-2)19-17(25-16(11)22)20-15(21)9-3-5-10(18)6-4-9/h3-8H,1-2H3,(H,19,20,21).
What are the key properties of 4-chloro-N-(6,7-dimethoxy-4-oxo-3,1-benzothiazin-2-yl)benzamide?
4-chloro-N-(6,7-dimethoxy-4-oxo-3,1-benzothiazin-2-yl)benzamide has a molecular weight of 376.82 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(6,7-dimethoxy-4-oxo-3,1-benzothiazin-2-yl)benzamide is sourced from PubChem (CID 2810145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).