5-(benzenesulfonyl)-1,3-benzothiazol-2-amine

C13H10N2O2S2 — CID 23166449

IUPAC5-(benzenesulfonyl)-1,3-benzothiazol-2-amine
SMILESNc1nc2cc(S(=O)(=O)c3ccccc3)ccc2s1
InChIInChI=1S/C13H10N2O2S2/c14-13-15-11-8-10(6-7-12(11)18-13)19(16,17)9-4-2-1-3-5-9/h1-8H,(H2,14,15)
InChIKeyTVKDOFDAJFFGBZ-UHFFFAOYSA-N
MW290.37 g/mol
LogP2.71
Rot. Bonds2

About 5-(benzenesulfonyl)-1,3-benzothiazol-2-amine

5-(benzenesulfonyl)-1,3-benzothiazol-2-amine (PubChem CID 23166449) has the molecular formula C13H10N2O2S2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 5-(benzenesulfonyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name5-(benzenesulfonyl)-1,3-benzothiazol-2-amine
PubChem CID23166449
Molecular FormulaC13H10N2O2S2
Molecular Weight290.37 g/mol
Exact Mass290.02
IUPAC Name5-(benzenesulfonyl)-1,3-benzothiazol-2-amine
SMILESNc1nc2cc(S(=O)(=O)c3ccccc3)ccc2s1
InChIInChI=1S/C13H10N2O2S2/c14-13-15-11-8-10(6-7-12(11)18-13)19(16,17)9-4-2-1-3-5-9/h1-8H,(H2,14,15)
InChIKeyTVKDOFDAJFFGBZ-UHFFFAOYSA-N
XLogP2.71
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 5-(benzenesulfonyl)-1,3-benzothiazol-2-amine (CID 23166449) is 5-(benzenesulfonyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 5-(benzenesulfonyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 5-(benzenesulfonyl)-1,3-benzothiazol-2-amine is Nc1nc2cc(S(=O)(=O)c3ccccc3)ccc2s1.
What is the InChIKey of 5-(benzenesulfonyl)-1,3-benzothiazol-2-amine?
The InChIKey is TVKDOFDAJFFGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2S2/c14-13-15-11-8-10(6-7-12(11)18-13)19(16,17)9-4-2-1-3-5-9/h1-8H,(H2,14,15).
What are the key properties of 5-(benzenesulfonyl)-1,3-benzothiazol-2-amine?
5-(benzenesulfonyl)-1,3-benzothiazol-2-amine has a molecular weight of 290.37 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 23166449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).