N-(2-methyl-1,3-benzothiazol-5-yl)pyridine-3-sulfonamide

C13H11N3O2S2 — CID 25040146

IUPACN-(2-methyl-1,3-benzothiazol-5-yl)pyridine-3-sulfonamide
SMILESCc1nc2cc(NS(=O)(=O)c3cccnc3)ccc2s1
InChIInChI=1S/C13H11N3O2S2/c1-9-15-12-7-10(4-5-13(12)19-9)16-20(17,18)11-3-2-6-14-8-11/h2-8,16H,1H3
InChIKeyIMEPFXNLKYIWAF-UHFFFAOYSA-N
MW305.38 g/mol
LogP2.80
Rot. Bonds3

About N-(2-methyl-1,3-benzothiazol-5-yl)pyridine-3-sulfonamide

N-(2-methyl-1,3-benzothiazol-5-yl)pyridine-3-sulfonamide (PubChem CID 25040146) has the molecular formula C13H11N3O2S2 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-(2-methyl-1,3-benzothiazol-5-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(2-methyl-1,3-benzothiazol-5-yl)pyridine-3-sulfonamide
PubChem CID25040146
Molecular FormulaC13H11N3O2S2
Molecular Weight305.38 g/mol
Exact Mass305.03
IUPAC NameN-(2-methyl-1,3-benzothiazol-5-yl)pyridine-3-sulfonamide
SMILESCc1nc2cc(NS(=O)(=O)c3cccnc3)ccc2s1
InChIInChI=1S/C13H11N3O2S2/c1-9-15-12-7-10(4-5-13(12)19-9)16-20(17,18)11-3-2-6-14-8-11/h2-8,16H,1H3
InChIKeyIMEPFXNLKYIWAF-UHFFFAOYSA-N
XLogP2.80
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,3-benzothiazol-5-yl)pyridine-3-sulfonamide?
The IUPAC name of N-(2-methyl-1,3-benzothiazol-5-yl)pyridine-3-sulfonamide (CID 25040146) is N-(2-methyl-1,3-benzothiazol-5-yl)pyridine-3-sulfonamide.
What is the SMILES notation for N-(2-methyl-1,3-benzothiazol-5-yl)pyridine-3-sulfonamide?
The canonical SMILES for N-(2-methyl-1,3-benzothiazol-5-yl)pyridine-3-sulfonamide is Cc1nc2cc(NS(=O)(=O)c3cccnc3)ccc2s1.
What is the InChIKey of N-(2-methyl-1,3-benzothiazol-5-yl)pyridine-3-sulfonamide?
The InChIKey is IMEPFXNLKYIWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2S2/c1-9-15-12-7-10(4-5-13(12)19-9)16-20(17,18)11-3-2-6-14-8-11/h2-8,16H,1H3.
What are the key properties of N-(2-methyl-1,3-benzothiazol-5-yl)pyridine-3-sulfonamide?
N-(2-methyl-1,3-benzothiazol-5-yl)pyridine-3-sulfonamide has a molecular weight of 305.38 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,3-benzothiazol-5-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 25040146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).