N-(1,3-benzothiazol-6-yl)benzenesulfonamide

C13H10N2O2S2 — CID 3346093

IUPACN-(1,3-benzothiazol-6-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc2ncsc2c1)c1ccccc1
InChIInChI=1S/C13H10N2O2S2/c16-19(17,11-4-2-1-3-5-11)15-10-6-7-12-13(8-10)18-9-14-12/h1-9,15H
InChIKeyAHLBNLLBQMIJBU-UHFFFAOYSA-N
MW290.37 g/mol
LogP3.10
Rot. Bonds3

About N-(1,3-benzothiazol-6-yl)benzenesulfonamide

N-(1,3-benzothiazol-6-yl)benzenesulfonamide (PubChem CID 3346093) has the molecular formula C13H10N2O2S2 and a molecular weight of 290.37 g/mol. Its IUPAC name is N-(1,3-benzothiazol-6-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-6-yl)benzenesulfonamide
PubChem CID3346093
Molecular FormulaC13H10N2O2S2
Molecular Weight290.37 g/mol
Exact Mass290.02
IUPAC NameN-(1,3-benzothiazol-6-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc2ncsc2c1)c1ccccc1
InChIInChI=1S/C13H10N2O2S2/c16-19(17,11-4-2-1-3-5-11)15-10-6-7-12-13(8-10)18-9-14-12/h1-9,15H
InChIKeyAHLBNLLBQMIJBU-UHFFFAOYSA-N
XLogP3.10
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-6-yl)benzenesulfonamide?
The IUPAC name of N-(1,3-benzothiazol-6-yl)benzenesulfonamide (CID 3346093) is N-(1,3-benzothiazol-6-yl)benzenesulfonamide.
What is the SMILES notation for N-(1,3-benzothiazol-6-yl)benzenesulfonamide?
The canonical SMILES for N-(1,3-benzothiazol-6-yl)benzenesulfonamide is O=S(=O)(Nc1ccc2ncsc2c1)c1ccccc1.
What is the InChIKey of N-(1,3-benzothiazol-6-yl)benzenesulfonamide?
The InChIKey is AHLBNLLBQMIJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2S2/c16-19(17,11-4-2-1-3-5-11)15-10-6-7-12-13(8-10)18-9-14-12/h1-9,15H.
What are the key properties of N-(1,3-benzothiazol-6-yl)benzenesulfonamide?
N-(1,3-benzothiazol-6-yl)benzenesulfonamide has a molecular weight of 290.37 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-6-yl)benzenesulfonamide is sourced from PubChem (CID 3346093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).