4-acetyl-N-[3-(4-oxo-1,3-thiazolidin-2-yl)phenyl]benzenesulfonamide

C17H16N2O4S2 — CID 46388736

IUPAC4-acetyl-N-[3-(4-oxo-1,3-thiazolidin-2-yl)phenyl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)Nc2cccc(C3NC(=O)CS3)c2)cc1
InChIInChI=1S/C17H16N2O4S2/c1-11(20)12-5-7-15(8-6-12)25(22,23)19-14-4-2-3-13(9-14)17-18-16(21)10-24-17/h2-9,17,19H,10H2,1H3,(H,18,21)
InChIKeyLAVIORTWKIJHAY-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.55
Rot. Bonds5

About 4-acetyl-N-[3-(4-oxo-1,3-thiazolidin-2-yl)phenyl]benzenesulfonamide

4-acetyl-N-[3-(4-oxo-1,3-thiazolidin-2-yl)phenyl]benzenesulfonamide (PubChem CID 46388736) has the molecular formula C17H16N2O4S2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 4-acetyl-N-[3-(4-oxo-1,3-thiazolidin-2-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-[3-(4-oxo-1,3-thiazolidin-2-yl)phenyl]benzenesulfonamide
PubChem CID46388736
Molecular FormulaC17H16N2O4S2
Molecular Weight376.46 g/mol
Exact Mass376.06
IUPAC Name4-acetyl-N-[3-(4-oxo-1,3-thiazolidin-2-yl)phenyl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)Nc2cccc(C3NC(=O)CS3)c2)cc1
InChIInChI=1S/C17H16N2O4S2/c1-11(20)12-5-7-15(8-6-12)25(22,23)19-14-4-2-3-13(9-14)17-18-16(21)10-24-17/h2-9,17,19H,10H2,1H3,(H,18,21)
InChIKeyLAVIORTWKIJHAY-UHFFFAOYSA-N
XLogP2.55
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-[3-(4-oxo-1,3-thiazolidin-2-yl)phenyl]benzenesulfonamide
CID 46388735
4-(2-methylpropyl)-N-[3-(4-oxo-1,3-thiazolidin-2-yl)phenyl]benzenesulfonamide
CID 46388730
4-acetyl-N-(3-pyrazol-1-ylphenyl)benzenesulfonamide
CID 110731419
N-[3-(1,3-dithiolan-2-yl)phenyl]-4-methylbenzenesulfonamide
CID 27658327
2-[3-[(4-acetamidophenyl)sulfonylamino]phenyl]-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxylic acid
CID 67441012
N-(4-acetylphenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 7542008
3-[(4-acetylphenyl)sulfonylamino]-4-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 26950297
N-[[4-[(3-acetylphenyl)sulfamoyl]phenyl]methyl]acetamide
CID 35933784
4-acetyl-N-pyridin-3-ylbenzenesulfonamide
CID 22750329
4-methyl-N-[3-[(2R)-3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide
CID 93125424
N-[3-(1,3-dithiolan-2-yl)phenyl]-4-propan-2-ylbenzenesulfonamide
CID 27658350
4-acetyl-N-(3-fluoro-4-hydroxyphenyl)benzenesulfonamide
CID 64781477

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[3-(4-oxo-1,3-thiazolidin-2-yl)phenyl]benzenesulfonamide?
The IUPAC name of 4-acetyl-N-[3-(4-oxo-1,3-thiazolidin-2-yl)phenyl]benzenesulfonamide (CID 46388736) is 4-acetyl-N-[3-(4-oxo-1,3-thiazolidin-2-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-[3-(4-oxo-1,3-thiazolidin-2-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-[3-(4-oxo-1,3-thiazolidin-2-yl)phenyl]benzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)Nc2cccc(C3NC(=O)CS3)c2)cc1.
What is the InChIKey of 4-acetyl-N-[3-(4-oxo-1,3-thiazolidin-2-yl)phenyl]benzenesulfonamide?
The InChIKey is LAVIORTWKIJHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4S2/c1-11(20)12-5-7-15(8-6-12)25(22,23)19-14-4-2-3-13(9-14)17-18-16(21)10-24-17/h2-9,17,19H,10H2,1H3,(H,18,21).
What are the key properties of 4-acetyl-N-[3-(4-oxo-1,3-thiazolidin-2-yl)phenyl]benzenesulfonamide?
4-acetyl-N-[3-(4-oxo-1,3-thiazolidin-2-yl)phenyl]benzenesulfonamide has a molecular weight of 376.46 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[3-(4-oxo-1,3-thiazolidin-2-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 46388736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).