2-(3-methoxyphenyl)-1,1-dioxothieno[3,2-e]thiazine-6-sulfonamide

C13H12N2O5S3 — CID 1514

IUPAC2-(3-methoxyphenyl)-1,1-dioxothieno[3,2-e]thiazine-6-sulfonamide
SMILESCOc1cccc(N2C=Cc3cc(S(N)(=O)=O)sc3S2(=O)=O)c1
InChIInChI=1S/C13H12N2O5S3/c1-20-11-4-2-3-10(8-11)15-6-5-9-7-12(22(14,16)17)21-13(9)23(15,18)19/h2-8H,1H3,(H2,14,16,17)
InChIKeyFBBLOSCXOZYUSS-UHFFFAOYSA-N
MW372.45 g/mol
LogP1.58
Rot. Bonds3

About 2-(3-methoxyphenyl)-1,1-dioxothieno[3,2-e]thiazine-6-sulfonamide

2-(3-methoxyphenyl)-1,1-dioxothieno[3,2-e]thiazine-6-sulfonamide (PubChem CID 1514) has the molecular formula C13H12N2O5S3 and a molecular weight of 372.45 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-1,1-dioxothieno[3,2-e]thiazine-6-sulfonamide.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-1,1-dioxothieno[3,2-e]thiazine-6-sulfonamide
PubChem CID1514
Molecular FormulaC13H12N2O5S3
Molecular Weight372.45 g/mol
Exact Mass371.99
IUPAC Name2-(3-methoxyphenyl)-1,1-dioxothieno[3,2-e]thiazine-6-sulfonamide
SMILESCOc1cccc(N2C=Cc3cc(S(N)(=O)=O)sc3S2(=O)=O)c1
InChIInChI=1S/C13H12N2O5S3/c1-20-11-4-2-3-10(8-11)15-6-5-9-7-12(22(14,16)17)21-13(9)23(15,18)19/h2-8H,1H3,(H2,14,16,17)
InChIKeyFBBLOSCXOZYUSS-UHFFFAOYSA-N
XLogP1.58
TPSA106.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-1,1-dioxothieno[3,2-e]thiazine-6-sulfonamide?
The IUPAC name of 2-(3-methoxyphenyl)-1,1-dioxothieno[3,2-e]thiazine-6-sulfonamide (CID 1514) is 2-(3-methoxyphenyl)-1,1-dioxothieno[3,2-e]thiazine-6-sulfonamide.
What is the SMILES notation for 2-(3-methoxyphenyl)-1,1-dioxothieno[3,2-e]thiazine-6-sulfonamide?
The canonical SMILES for 2-(3-methoxyphenyl)-1,1-dioxothieno[3,2-e]thiazine-6-sulfonamide is COc1cccc(N2C=Cc3cc(S(N)(=O)=O)sc3S2(=O)=O)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-1,1-dioxothieno[3,2-e]thiazine-6-sulfonamide?
The InChIKey is FBBLOSCXOZYUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O5S3/c1-20-11-4-2-3-10(8-11)15-6-5-9-7-12(22(14,16)17)21-13(9)23(15,18)19/h2-8H,1H3,(H2,14,16,17).
What are the key properties of 2-(3-methoxyphenyl)-1,1-dioxothieno[3,2-e]thiazine-6-sulfonamide?
2-(3-methoxyphenyl)-1,1-dioxothieno[3,2-e]thiazine-6-sulfonamide has a molecular weight of 372.45 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-1,1-dioxothieno[3,2-e]thiazine-6-sulfonamide is sourced from PubChem (CID 1514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).