1,3-benzothiazole-2-sulfonohydrazide

C7H7N3O2S2 — CID 163739886

IUPAC1,3-benzothiazole-2-sulfonohydrazide
SMILESNNS(=O)(=O)c1nc2ccccc2s1
InChIInChI=1S/C7H7N3O2S2/c8-10-14(11,12)7-9-5-3-1-2-4-6(5)13-7/h1-4,10H,8H2
InChIKeyLGVQECKWAOOHFX-UHFFFAOYSA-N
MW229.29 g/mol
LogP0.45
Rot. Bonds2

About 1,3-benzothiazole-2-sulfonohydrazide

1,3-benzothiazole-2-sulfonohydrazide (PubChem CID 163739886) has the molecular formula C7H7N3O2S2 and a molecular weight of 229.29 g/mol. Its IUPAC name is 1,3-benzothiazole-2-sulfonohydrazide.

Molecular Properties

Compound Name1,3-benzothiazole-2-sulfonohydrazide
PubChem CID163739886
Molecular FormulaC7H7N3O2S2
Molecular Weight229.29 g/mol
Exact Mass229.00
IUPAC Name1,3-benzothiazole-2-sulfonohydrazide
SMILESNNS(=O)(=O)c1nc2ccccc2s1
InChIInChI=1S/C7H7N3O2S2/c8-10-14(11,12)7-9-5-3-1-2-4-6(5)13-7/h1-4,10H,8H2
InChIKeyLGVQECKWAOOHFX-UHFFFAOYSA-N
XLogP0.45
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(diphosphanyl)-1,3-benzothiazole-2-sulfonamide
CID 59552462
N-(2-amino-2-hydroxyethyl)-1,3-benzothiazole-2-sulfonamide
CID 19894858
potassium;1,3-benzothiazole-2-sulfonate;hydrate
CID 44726049
N'-(4-methylphenyl)-1,3-benzothiazole-2-sulfonohydrazide
CID 175368644
N-phenylmethoxy-1,3-benzothiazole-2-sulfonamide
CID 69015020
N-piperidin-4-yl-1,3-benzothiazole-2-sulfonamide
CID 71645908
2-[1,3-benzothiazol-2-ylsulfonyl(dideuterio)methyl]-1,3-benzothiazole
CID 56955628
2-[(Z)-2-(benzenesulfonyl)ethenyl]sulfonyl-1,3-benzothiazole
CID 155105423
2-(1-phenylethylsulfonyl)-1,3-benzothiazole
CID 13383609
2-cyclopentylsulfonyl-1,3-benzothiazole
CID 101459308
2-prop-2-enylsulfonyl-1,3-benzothiazole
CID 701066
2-[(1R,2R)-2-fluorocyclopropyl]sulfonyl-1,3-benzothiazole
CID 170903786

Frequently Asked Questions

What is the IUPAC name of 1,3-benzothiazole-2-sulfonohydrazide?
The IUPAC name of 1,3-benzothiazole-2-sulfonohydrazide (CID 163739886) is 1,3-benzothiazole-2-sulfonohydrazide.
What is the SMILES notation for 1,3-benzothiazole-2-sulfonohydrazide?
The canonical SMILES for 1,3-benzothiazole-2-sulfonohydrazide is NNS(=O)(=O)c1nc2ccccc2s1.
What is the InChIKey of 1,3-benzothiazole-2-sulfonohydrazide?
The InChIKey is LGVQECKWAOOHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O2S2/c8-10-14(11,12)7-9-5-3-1-2-4-6(5)13-7/h1-4,10H,8H2.
What are the key properties of 1,3-benzothiazole-2-sulfonohydrazide?
1,3-benzothiazole-2-sulfonohydrazide has a molecular weight of 229.29 g/mol, XLogP of 0.45, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzothiazole-2-sulfonohydrazide is sourced from PubChem (CID 163739886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).