8-bromo-7-chloro-4-formyl-N-methyl-2,3-dihydro-1,4-benzothiazine-5-carboxamide

C11H10BrClN2O2S — CID 156797386

IUPAC8-bromo-7-chloro-4-formyl-N-methyl-2,3-dihydro-1,4-benzothiazine-5-carboxamide
SMILESCNC(=O)c1cc(Cl)c(Br)c2c1N(C=O)CCS2
InChIInChI=1S/C11H10BrClN2O2S/c1-14-11(17)6-4-7(13)8(12)10-9(6)15(5-16)2-3-18-10/h4-5H,2-3H2,1H3,(H,14,17)
InChIKeyXXBOARVLHHYDDP-UHFFFAOYSA-N
MW349.64 g/mol
LogP2.53
Rot. Bonds2

About 8-bromo-7-chloro-4-formyl-N-methyl-2,3-dihydro-1,4-benzothiazine-5-carboxamide

8-bromo-7-chloro-4-formyl-N-methyl-2,3-dihydro-1,4-benzothiazine-5-carboxamide (PubChem CID 156797386) has the molecular formula C11H10BrClN2O2S and a molecular weight of 349.64 g/mol. Its IUPAC name is 8-bromo-7-chloro-4-formyl-N-methyl-2,3-dihydro-1,4-benzothiazine-5-carboxamide.

Molecular Properties

Compound Name8-bromo-7-chloro-4-formyl-N-methyl-2,3-dihydro-1,4-benzothiazine-5-carboxamide
PubChem CID156797386
Molecular FormulaC11H10BrClN2O2S
Molecular Weight349.64 g/mol
Exact Mass347.93
IUPAC Name8-bromo-7-chloro-4-formyl-N-methyl-2,3-dihydro-1,4-benzothiazine-5-carboxamide
SMILESCNC(=O)c1cc(Cl)c(Br)c2c1N(C=O)CCS2
InChIInChI=1S/C11H10BrClN2O2S/c1-14-11(17)6-4-7(13)8(12)10-9(6)15(5-16)2-3-18-10/h4-5H,2-3H2,1H3,(H,14,17)
InChIKeyXXBOARVLHHYDDP-UHFFFAOYSA-N
XLogP2.53
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.64
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 8-bromo-7-chloro-4-formyl-N-methyl-2,3-dihydro-1,4-benzothiazine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-bromo-7-chloro-4-formyl-N-methyl-2,3-dihydro-1,4-benzothiazine-5-carboxamide?
The IUPAC name of 8-bromo-7-chloro-4-formyl-N-methyl-2,3-dihydro-1,4-benzothiazine-5-carboxamide (CID 156797386) is 8-bromo-7-chloro-4-formyl-N-methyl-2,3-dihydro-1,4-benzothiazine-5-carboxamide.
What is the SMILES notation for 8-bromo-7-chloro-4-formyl-N-methyl-2,3-dihydro-1,4-benzothiazine-5-carboxamide?
The canonical SMILES for 8-bromo-7-chloro-4-formyl-N-methyl-2,3-dihydro-1,4-benzothiazine-5-carboxamide is CNC(=O)c1cc(Cl)c(Br)c2c1N(C=O)CCS2.
What is the InChIKey of 8-bromo-7-chloro-4-formyl-N-methyl-2,3-dihydro-1,4-benzothiazine-5-carboxamide?
The InChIKey is XXBOARVLHHYDDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClN2O2S/c1-14-11(17)6-4-7(13)8(12)10-9(6)15(5-16)2-3-18-10/h4-5H,2-3H2,1H3,(H,14,17).
What are the key properties of 8-bromo-7-chloro-4-formyl-N-methyl-2,3-dihydro-1,4-benzothiazine-5-carboxamide?
8-bromo-7-chloro-4-formyl-N-methyl-2,3-dihydro-1,4-benzothiazine-5-carboxamide has a molecular weight of 349.64 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-7-chloro-4-formyl-N-methyl-2,3-dihydro-1,4-benzothiazine-5-carboxamide is sourced from PubChem (CID 156797386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).