2H-1,4-benzothiazine-6-sulfonamide

C8H8N2O2S2 — CID 91520182

IUPAC2H-1,4-benzothiazine-6-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)N=CCS2
InChIInChI=1S/C8H8N2O2S2/c9-14(11,12)6-1-2-8-7(5-6)10-3-4-13-8/h1-3,5H,4H2,(H2,9,11,12)
InChIKeyJNHISOCELOKSKO-UHFFFAOYSA-N
MW228.30 g/mol
LogP1.14
Rot. Bonds1

About 2H-1,4-benzothiazine-6-sulfonamide

2H-1,4-benzothiazine-6-sulfonamide (PubChem CID 91520182) has the molecular formula C8H8N2O2S2 and a molecular weight of 228.30 g/mol. Its IUPAC name is 2H-1,4-benzothiazine-6-sulfonamide.

Molecular Properties

Compound Name2H-1,4-benzothiazine-6-sulfonamide
PubChem CID91520182
Molecular FormulaC8H8N2O2S2
Molecular Weight228.30 g/mol
Exact Mass228.00
IUPAC Name2H-1,4-benzothiazine-6-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)N=CCS2
InChIInChI=1S/C8H8N2O2S2/c9-14(11,12)6-1-2-8-7(5-6)10-3-4-13-8/h1-3,5H,4H2,(H2,9,11,12)
InChIKeyJNHISOCELOKSKO-UHFFFAOYSA-N
XLogP1.14
TPSA72.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2H-1,4-benzothiazine;methanesulfonic acid
CID 158178110
3-methyl-1-benzothiophene-6-sulfonamide
CID 20824587
2H-1,4-benzothiazine;bis((Z)-but-2-enedioic acid)
CID 162310233
2H-1,4-benzothiazine;(Z)-but-2-enedioic acid
CID 172711693
1H-isoindole-5-sulfonamide
CID 154170337
3-[(6-sulfamoyl-2,4-dihydro-1,3-benzothiazin-3-yl)methyl]-2,4-dihydro-1,3-benzothiazine-6-sulfonamide;dihydrochloride
CID 23457277
1,4-dihydrophthalazine-6-sulfonamide
CID 141491435
benzene-1,3-disulfonamide
CID 3090044
sodium 2-amino-4-sulfamoylphenolate
CID 102504170
4-amino-3-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]benzenesulfonamide
CID 82898337
3-nitro-4-pyridin-4-ylsulfanylbenzenesulfonamide
CID 133411072
6,7,8,9-tetrahydrodibenzothiophene-3-sulfonamide
CID 141017575

Frequently Asked Questions

What is the IUPAC name of 2H-1,4-benzothiazine-6-sulfonamide?
The IUPAC name of 2H-1,4-benzothiazine-6-sulfonamide (CID 91520182) is 2H-1,4-benzothiazine-6-sulfonamide.
What is the SMILES notation for 2H-1,4-benzothiazine-6-sulfonamide?
The canonical SMILES for 2H-1,4-benzothiazine-6-sulfonamide is NS(=O)(=O)c1ccc2c(c1)N=CCS2.
What is the InChIKey of 2H-1,4-benzothiazine-6-sulfonamide?
The InChIKey is JNHISOCELOKSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2S2/c9-14(11,12)6-1-2-8-7(5-6)10-3-4-13-8/h1-3,5H,4H2,(H2,9,11,12).
What are the key properties of 2H-1,4-benzothiazine-6-sulfonamide?
2H-1,4-benzothiazine-6-sulfonamide has a molecular weight of 228.30 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-1,4-benzothiazine-6-sulfonamide is sourced from PubChem (CID 91520182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).