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

C17H14N2O3S2 — CID 59159633

IUPACN-(2-acetylthiophen-3-yl)-2-pyridin-4-ylbenzenesulfonamide
SMILESCC(=O)c1sccc1NS(=O)(=O)c1ccccc1-c1ccncc1
InChIInChI=1S/C17H14N2O3S2/c1-12(20)17-15(8-11-23-17)19-24(21,22)16-5-3-2-4-14(16)13-6-9-18-10-7-13/h2-11,19H,1H3
InChIKeyYKYFEUDCADYNLG-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.81
Rot. Bonds5

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

N-(2-acetylthiophen-3-yl)-2-pyridin-4-ylbenzenesulfonamide (PubChem CID 59159633) has the molecular formula C17H14N2O3S2 and a molecular weight of 358.44 g/mol. Its IUPAC name is N-(2-acetylthiophen-3-yl)-2-pyridin-4-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-acetylthiophen-3-yl)-2-pyridin-4-ylbenzenesulfonamide
PubChem CID59159633
Molecular FormulaC17H14N2O3S2
Molecular Weight358.44 g/mol
Exact Mass358.04
IUPAC NameN-(2-acetylthiophen-3-yl)-2-pyridin-4-ylbenzenesulfonamide
SMILESCC(=O)c1sccc1NS(=O)(=O)c1ccccc1-c1ccncc1
InChIInChI=1S/C17H14N2O3S2/c1-12(20)17-15(8-11-23-17)19-24(21,22)16-5-3-2-4-14(16)13-6-9-18-10-7-13/h2-11,19H,1H3
InChIKeyYKYFEUDCADYNLG-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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Related Compounds

N-[5-oxo-3-(3-thienyl)-5H-benzo[4,5]cyclohepta[1,2-b]pyridin-7-yl]methanesulfonamide
CID 15981074
3-Amino-5-(pyridin-4-yl)thiophene-2-carboxamide
CID 9920852
3-(o-Tolylsulfonylamino)-5-(4-pyridyl)thiophene-2-carboxylic acid
CID 10292795
N-[4-chloro-2-(pyridine-4-carbonyl)phenyl]-4-thiophen-3-ylbenzenesulfonamide
CID 59788581
5-bromo-N-[4-(pyridine-4-carbonyl)phenyl]thiophene-2-sulfonamide
CID 1251341
N-[(E)-pyridin-3-ylmethylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 6901701
4-(4-Methyl-2-propanoyl-5-pyridin-4-ylthiophen-3-yl)benzenesulfonamide
CID 60168993
N-[3-(methanesulfonamido)phenyl]-4-pyridin-4-ylthiophene-2-carboxamide
CID 169152192
N-[3-(methanesulfonamido)phenyl]-4-(4-methyl-3-pyridinyl)thiophene-2-carboxamide
CID 169152210
N-[3-(methanesulfonamido)phenyl]-4-pyridin-3-ylthiophene-2-carboxamide
CID 169152308
2-Thiophenecarboxamide, N-((4-((3-(trifluoromethyl)phenyl)amino)-3-pyridinyl)sulfonyl)-
CID 3043797
4-acetyl-N-(2-(2-(pyridin-3-yl)thiazol-4-yl)ethyl)benzenesulfonamide
CID 7119064

Frequently Asked Questions

What is the IUPAC name of N-(2-acetylthiophen-3-yl)-2-pyridin-4-ylbenzenesulfonamide?
The IUPAC name of N-(2-acetylthiophen-3-yl)-2-pyridin-4-ylbenzenesulfonamide (CID 59159633) is N-(2-acetylthiophen-3-yl)-2-pyridin-4-ylbenzenesulfonamide.
What is the SMILES notation for N-(2-acetylthiophen-3-yl)-2-pyridin-4-ylbenzenesulfonamide?
The canonical SMILES for N-(2-acetylthiophen-3-yl)-2-pyridin-4-ylbenzenesulfonamide is CC(=O)c1sccc1NS(=O)(=O)c1ccccc1-c1ccncc1.
What is the InChIKey of N-(2-acetylthiophen-3-yl)-2-pyridin-4-ylbenzenesulfonamide?
The InChIKey is YKYFEUDCADYNLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3S2/c1-12(20)17-15(8-11-23-17)19-24(21,22)16-5-3-2-4-14(16)13-6-9-18-10-7-13/h2-11,19H,1H3.
What are the key properties of N-(2-acetylthiophen-3-yl)-2-pyridin-4-ylbenzenesulfonamide?
N-(2-acetylthiophen-3-yl)-2-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)-2-pyridin-4-ylbenzenesulfonamide is sourced from PubChem (CID 59159633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).