N-(2-acetylthiophen-3-yl)-3-pyridin-4-ylbenzenesulfonamide

C17H14N2O3S2 — CID 59159589

IUPACN-(2-acetylthiophen-3-yl)-3-pyridin-4-ylbenzenesulfonamide
SMILESCC(=O)c1sccc1NS(=O)(=O)c1cccc(-c2ccncc2)c1
InChIInChI=1S/C17H14N2O3S2/c1-12(20)17-16(7-10-23-17)19-24(21,22)15-4-2-3-14(11-15)13-5-8-18-9-6-13/h2-11,19H,1H3
InChIKeySIYQCVARVBVKLT-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.81
Rot. Bonds5

About N-(2-acetylthiophen-3-yl)-3-pyridin-4-ylbenzenesulfonamide

N-(2-acetylthiophen-3-yl)-3-pyridin-4-ylbenzenesulfonamide (PubChem CID 59159589) has the molecular formula C17H14N2O3S2 and a molecular weight of 358.44 g/mol. Its IUPAC name is N-(2-acetylthiophen-3-yl)-3-pyridin-4-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-acetylthiophen-3-yl)-3-pyridin-4-ylbenzenesulfonamide
PubChem CID59159589
Molecular FormulaC17H14N2O3S2
Molecular Weight358.44 g/mol
Exact Mass358.04
IUPAC NameN-(2-acetylthiophen-3-yl)-3-pyridin-4-ylbenzenesulfonamide
SMILESCC(=O)c1sccc1NS(=O)(=O)c1cccc(-c2ccncc2)c1
InChIInChI=1S/C17H14N2O3S2/c1-12(20)17-16(7-10-23-17)19-24(21,22)15-4-2-3-14(11-15)13-5-8-18-9-6-13/h2-11,19H,1H3
InChIKeySIYQCVARVBVKLT-UHFFFAOYSA-N
XLogP3.81
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-acetylthiophen-3-yl)-3-pyridin-4-ylbenzenesulfonamide?
The IUPAC name of N-(2-acetylthiophen-3-yl)-3-pyridin-4-ylbenzenesulfonamide (CID 59159589) is N-(2-acetylthiophen-3-yl)-3-pyridin-4-ylbenzenesulfonamide.
What is the SMILES notation for N-(2-acetylthiophen-3-yl)-3-pyridin-4-ylbenzenesulfonamide?
The canonical SMILES for N-(2-acetylthiophen-3-yl)-3-pyridin-4-ylbenzenesulfonamide is CC(=O)c1sccc1NS(=O)(=O)c1cccc(-c2ccncc2)c1.
What is the InChIKey of N-(2-acetylthiophen-3-yl)-3-pyridin-4-ylbenzenesulfonamide?
The InChIKey is SIYQCVARVBVKLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3S2/c1-12(20)17-16(7-10-23-17)19-24(21,22)15-4-2-3-14(11-15)13-5-8-18-9-6-13/h2-11,19H,1H3.
What are the key properties of N-(2-acetylthiophen-3-yl)-3-pyridin-4-ylbenzenesulfonamide?
N-(2-acetylthiophen-3-yl)-3-pyridin-4-ylbenzenesulfonamide has a molecular weight of 358.44 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetylthiophen-3-yl)-3-pyridin-4-ylbenzenesulfonamide is sourced from PubChem (CID 59159589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).