N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-pyridin-3-ylbenzenesulfonamide

C16H15N3O2S2 — CID 110454451

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-4-pyridin-3-ylbenzenesulfonamide
SMILESCc1nc(NS(=O)(=O)c2ccc(-c3cccnc3)cc2)sc1C
InChIInChI=1S/C16H15N3O2S2/c1-11-12(2)22-16(18-11)19-23(20,21)15-7-5-13(6-8-15)14-4-3-9-17-10-14/h3-10H,1-2H3,(H,18,19)
InChIKeyOLEWDBDJZVZMNQ-UHFFFAOYSA-N
MW345.45 g/mol
LogP3.62
Rot. Bonds4

About N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-pyridin-3-ylbenzenesulfonamide

N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-pyridin-3-ylbenzenesulfonamide (PubChem CID 110454451) has the molecular formula C16H15N3O2S2 and a molecular weight of 345.45 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-pyridin-3-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-4-pyridin-3-ylbenzenesulfonamide
PubChem CID110454451
Molecular FormulaC16H15N3O2S2
Molecular Weight345.45 g/mol
Exact Mass345.06
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-4-pyridin-3-ylbenzenesulfonamide
SMILESCc1nc(NS(=O)(=O)c2ccc(-c3cccnc3)cc2)sc1C
InChIInChI=1S/C16H15N3O2S2/c1-11-12(2)22-16(18-11)19-23(20,21)15-7-5-13(6-8-15)14-4-3-9-17-10-14/h3-10H,1-2H3,(H,18,19)
InChIKeyOLEWDBDJZVZMNQ-UHFFFAOYSA-N
XLogP3.62
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-pyridin-3-ylbenzenesulfonamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-pyridin-3-ylbenzenesulfonamide (CID 110454451) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-pyridin-3-ylbenzenesulfonamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-pyridin-3-ylbenzenesulfonamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-pyridin-3-ylbenzenesulfonamide is Cc1nc(NS(=O)(=O)c2ccc(-c3cccnc3)cc2)sc1C.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-pyridin-3-ylbenzenesulfonamide?
The InChIKey is OLEWDBDJZVZMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S2/c1-11-12(2)22-16(18-11)19-23(20,21)15-7-5-13(6-8-15)14-4-3-9-17-10-14/h3-10H,1-2H3,(H,18,19).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-pyridin-3-ylbenzenesulfonamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-pyridin-3-ylbenzenesulfonamide has a molecular weight of 345.45 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-pyridin-3-ylbenzenesulfonamide is sourced from PubChem (CID 110454451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).