4-chloro-N-ethyl-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide

C12H13ClN2O3S — CID 46870384

IUPAC4-chloro-N-ethyl-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
SMILESCCNC(=O)C1=C(Cl)c2ccccc2S(=O)(=O)N1C
InChIInChI=1S/C12H13ClN2O3S/c1-3-14-12(16)11-10(13)8-6-4-5-7-9(8)19(17,18)15(11)2/h4-7H,3H2,1-2H3,(H,14,16)
InChIKeyLPVKULWFSRKAJC-UHFFFAOYSA-N
MW300.77 g/mol
LogP1.36
Rot. Bonds2

About 4-chloro-N-ethyl-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide

4-chloro-N-ethyl-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide (PubChem CID 46870384) has the molecular formula C12H13ClN2O3S and a molecular weight of 300.77 g/mol. Its IUPAC name is 4-chloro-N-ethyl-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-ethyl-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
PubChem CID46870384
Molecular FormulaC12H13ClN2O3S
Molecular Weight300.77 g/mol
Exact Mass300.03
IUPAC Name4-chloro-N-ethyl-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
SMILESCCNC(=O)C1=C(Cl)c2ccccc2S(=O)(=O)N1C
InChIInChI=1S/C12H13ClN2O3S/c1-3-14-12(16)11-10(13)8-6-4-5-7-9(8)19(17,18)15(11)2/h4-7H,3H2,1-2H3,(H,14,16)
InChIKeyLPVKULWFSRKAJC-UHFFFAOYSA-N
XLogP1.36
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.77
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-chloro-N-ethyl-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-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 4-chloro-N-ethyl-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide?
The IUPAC name of 4-chloro-N-ethyl-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide (CID 46870384) is 4-chloro-N-ethyl-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide.
What is the SMILES notation for 4-chloro-N-ethyl-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide?
The canonical SMILES for 4-chloro-N-ethyl-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide is CCNC(=O)C1=C(Cl)c2ccccc2S(=O)(=O)N1C.
What is the InChIKey of 4-chloro-N-ethyl-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide?
The InChIKey is LPVKULWFSRKAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O3S/c1-3-14-12(16)11-10(13)8-6-4-5-7-9(8)19(17,18)15(11)2/h4-7H,3H2,1-2H3,(H,14,16).
What are the key properties of 4-chloro-N-ethyl-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide?
4-chloro-N-ethyl-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide has a molecular weight of 300.77 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-ethyl-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide is sourced from PubChem (CID 46870384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).