N-(diphosphanyl)-1,3-benzothiazole-2-sulfonamide

C7H8N2O2P2S2 — CID 59552462

IUPACN-(diphosphanyl)-1,3-benzothiazole-2-sulfonamide
SMILESO=S(=O)(NPP)c1nc2ccccc2s1
InChIInChI=1S/C7H8N2O2P2S2/c10-15(11,9-13-12)7-8-5-3-1-2-4-6(5)14-7/h1-4,9,13H,12H2
InChIKeyJHZVGFTZDSWRSF-UHFFFAOYSA-N
MW278.24 g/mol
LogP1.96
Rot. Bonds3

About N-(diphosphanyl)-1,3-benzothiazole-2-sulfonamide

N-(diphosphanyl)-1,3-benzothiazole-2-sulfonamide (PubChem CID 59552462) has the molecular formula C7H8N2O2P2S2 and a molecular weight of 278.24 g/mol. Its IUPAC name is N-(diphosphanyl)-1,3-benzothiazole-2-sulfonamide.

Molecular Properties

Compound NameN-(diphosphanyl)-1,3-benzothiazole-2-sulfonamide
PubChem CID59552462
Molecular FormulaC7H8N2O2P2S2
Molecular Weight278.24 g/mol
Exact Mass277.95
IUPAC NameN-(diphosphanyl)-1,3-benzothiazole-2-sulfonamide
SMILESO=S(=O)(NPP)c1nc2ccccc2s1
InChIInChI=1S/C7H8N2O2P2S2/c10-15(11,9-13-12)7-8-5-3-1-2-4-6(5)14-7/h1-4,9,13H,12H2
InChIKeyJHZVGFTZDSWRSF-UHFFFAOYSA-N
XLogP1.96
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.24
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1,3-benzothiazole-2-sulfonohydrazide
CID 163739886
potassium;1,3-benzothiazole-2-sulfonate;hydrate
CID 44726049
N-phenylmethoxy-1,3-benzothiazole-2-sulfonamide
CID 69015020
N-(2-amino-2-hydroxyethyl)-1,3-benzothiazole-2-sulfonamide
CID 19894858
N'-(4-methylphenyl)-1,3-benzothiazole-2-sulfonohydrazide
CID 175368644
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-cyclopentylsulfonyl-1,3-benzothiazole
CID 101459308
2-(1-phenylethylsulfonyl)-1,3-benzothiazole
CID 13383609
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 N-(diphosphanyl)-1,3-benzothiazole-2-sulfonamide?
The IUPAC name of N-(diphosphanyl)-1,3-benzothiazole-2-sulfonamide (CID 59552462) is N-(diphosphanyl)-1,3-benzothiazole-2-sulfonamide.
What is the SMILES notation for N-(diphosphanyl)-1,3-benzothiazole-2-sulfonamide?
The canonical SMILES for N-(diphosphanyl)-1,3-benzothiazole-2-sulfonamide is O=S(=O)(NPP)c1nc2ccccc2s1.
What is the InChIKey of N-(diphosphanyl)-1,3-benzothiazole-2-sulfonamide?
The InChIKey is JHZVGFTZDSWRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2P2S2/c10-15(11,9-13-12)7-8-5-3-1-2-4-6(5)14-7/h1-4,9,13H,12H2.
What are the key properties of N-(diphosphanyl)-1,3-benzothiazole-2-sulfonamide?
N-(diphosphanyl)-1,3-benzothiazole-2-sulfonamide has a molecular weight of 278.24 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diphosphanyl)-1,3-benzothiazole-2-sulfonamide is sourced from PubChem (CID 59552462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).