6-hydroxy-1,3-benzothiazole-2-sulfonamide

C7H6N2O3S2 — CID 6852129

IUPAC6-hydroxy-1,3-benzothiazole-2-sulfonamide
SMILESNS(=O)(=O)c1nc2ccc(O)cc2s1
InChIInChI=1S/C7H6N2O3S2/c8-14(11,12)7-9-5-2-1-4(10)3-6(5)13-7/h1-3,10H,(H2,8,11,12)
InChIKeyNOOBQTYVTDBXTL-UHFFFAOYSA-N
MW230.27 g/mol
LogP0.65
Rot. Bonds1

About 6-hydroxy-1,3-benzothiazole-2-sulfonamide

6-hydroxy-1,3-benzothiazole-2-sulfonamide (PubChem CID 6852129) has the molecular formula C7H6N2O3S2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 6-hydroxy-1,3-benzothiazole-2-sulfonamide.

Molecular Properties

Compound Name6-hydroxy-1,3-benzothiazole-2-sulfonamide
PubChem CID6852129
Molecular FormulaC7H6N2O3S2
Molecular Weight230.27 g/mol
Exact Mass229.98
IUPAC Name6-hydroxy-1,3-benzothiazole-2-sulfonamide
SMILESNS(=O)(=O)c1nc2ccc(O)cc2s1
InChIInChI=1S/C7H6N2O3S2/c8-14(11,12)7-9-5-2-1-4(10)3-6(5)13-7/h1-3,10H,(H2,8,11,12)
InChIKeyNOOBQTYVTDBXTL-UHFFFAOYSA-N
XLogP0.65
TPSA93.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1,3-benzothiazole-2-sulfonamide?
The IUPAC name of 6-hydroxy-1,3-benzothiazole-2-sulfonamide (CID 6852129) is 6-hydroxy-1,3-benzothiazole-2-sulfonamide.
What is the SMILES notation for 6-hydroxy-1,3-benzothiazole-2-sulfonamide?
The canonical SMILES for 6-hydroxy-1,3-benzothiazole-2-sulfonamide is NS(=O)(=O)c1nc2ccc(O)cc2s1.
What is the InChIKey of 6-hydroxy-1,3-benzothiazole-2-sulfonamide?
The InChIKey is NOOBQTYVTDBXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O3S2/c8-14(11,12)7-9-5-2-1-4(10)3-6(5)13-7/h1-3,10H,(H2,8,11,12).
What are the key properties of 6-hydroxy-1,3-benzothiazole-2-sulfonamide?
6-hydroxy-1,3-benzothiazole-2-sulfonamide has a molecular weight of 230.27 g/mol, XLogP of 0.65, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1,3-benzothiazole-2-sulfonamide is sourced from PubChem (CID 6852129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).