3-[5-(1,3-thiazol-4-yl)-3-pyridinyl]benzenesulfonamide

C14H11N3O2S2 — CID 175307875

IUPAC3-[5-(1,3-thiazol-4-yl)-3-pyridinyl]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(-c2cncc(-c3cscn3)c2)c1
InChIInChI=1S/C14H11N3O2S2/c15-21(18,19)13-3-1-2-10(5-13)11-4-12(7-16-6-11)14-8-20-9-17-14/h1-9H,(H2,15,18,19)
InChIKeyLEKACLQCYRTZMB-UHFFFAOYSA-N
MW317.40 g/mol
LogP2.52
Rot. Bonds3

About 3-[5-(1,3-thiazol-4-yl)-3-pyridinyl]benzenesulfonamide

3-[5-(1,3-thiazol-4-yl)-3-pyridinyl]benzenesulfonamide (PubChem CID 175307875) has the molecular formula C14H11N3O2S2 and a molecular weight of 317.40 g/mol. Its IUPAC name is 3-[5-(1,3-thiazol-4-yl)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name3-[5-(1,3-thiazol-4-yl)-3-pyridinyl]benzenesulfonamide
PubChem CID175307875
Molecular FormulaC14H11N3O2S2
Molecular Weight317.40 g/mol
Exact Mass317.03
IUPAC Name3-[5-(1,3-thiazol-4-yl)-3-pyridinyl]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(-c2cncc(-c3cscn3)c2)c1
InChIInChI=1S/C14H11N3O2S2/c15-21(18,19)13-3-1-2-10(5-13)11-4-12(7-16-6-11)14-8-20-9-17-14/h1-9H,(H2,15,18,19)
InChIKeyLEKACLQCYRTZMB-UHFFFAOYSA-N
XLogP2.52
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(1,3-thiazol-4-yl)-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 3-[5-(1,3-thiazol-4-yl)-3-pyridinyl]benzenesulfonamide (CID 175307875) is 3-[5-(1,3-thiazol-4-yl)-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 3-[5-(1,3-thiazol-4-yl)-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 3-[5-(1,3-thiazol-4-yl)-3-pyridinyl]benzenesulfonamide is NS(=O)(=O)c1cccc(-c2cncc(-c3cscn3)c2)c1.
What is the InChIKey of 3-[5-(1,3-thiazol-4-yl)-3-pyridinyl]benzenesulfonamide?
The InChIKey is LEKACLQCYRTZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2S2/c15-21(18,19)13-3-1-2-10(5-13)11-4-12(7-16-6-11)14-8-20-9-17-14/h1-9H,(H2,15,18,19).
What are the key properties of 3-[5-(1,3-thiazol-4-yl)-3-pyridinyl]benzenesulfonamide?
3-[5-(1,3-thiazol-4-yl)-3-pyridinyl]benzenesulfonamide has a molecular weight of 317.40 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(1,3-thiazol-4-yl)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 175307875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).