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

C16H16N2O3S2 — CID 46388735

IUPAC3-methyl-N-[3-(4-oxo-1,3-thiazolidin-2-yl)phenyl]benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2cccc(C3NC(=O)CS3)c2)c1
InChIInChI=1S/C16H16N2O3S2/c1-11-4-2-7-14(8-11)23(20,21)18-13-6-3-5-12(9-13)16-17-15(19)10-22-16/h2-9,16,18H,10H2,1H3,(H,17,19)
InChIKeyBFEITRUULKFMES-UHFFFAOYSA-N
MW348.45 g/mol
LogP2.66
Rot. Bonds4

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

3-methyl-N-[3-(4-oxo-1,3-thiazolidin-2-yl)phenyl]benzenesulfonamide (PubChem CID 46388735) has the molecular formula C16H16N2O3S2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 3-methyl-N-[3-(4-oxo-1,3-thiazolidin-2-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-methyl-N-[3-(4-oxo-1,3-thiazolidin-2-yl)phenyl]benzenesulfonamide
PubChem CID46388735
Molecular FormulaC16H16N2O3S2
Molecular Weight348.45 g/mol
Exact Mass348.06
IUPAC Name3-methyl-N-[3-(4-oxo-1,3-thiazolidin-2-yl)phenyl]benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2cccc(C3NC(=O)CS3)c2)c1
InChIInChI=1S/C16H16N2O3S2/c1-11-4-2-7-14(8-11)23(20,21)18-13-6-3-5-12(9-13)16-17-15(19)10-22-16/h2-9,16,18H,10H2,1H3,(H,17,19)
InChIKeyBFEITRUULKFMES-UHFFFAOYSA-N
XLogP2.66
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetyl-N-[3-(4-oxo-1,3-thiazolidin-2-yl)phenyl]benzenesulfonamide
CID 46388736
4-(2-methylpropyl)-N-[3-(4-oxo-1,3-thiazolidin-2-yl)phenyl]benzenesulfonamide
CID 46388730
3-methyl-N-[3-(1-propylazetidin-3-yl)phenyl]benzenesulfonamide
CID 24877807
3-methyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)benzenesulfonamide
CID 110778775
N-(3-methylphenyl)-3-[3-[(3-methylphenyl)sulfamoyl]phenyl]sulfonylbenzenesulfonamide
CID 3091379
N-[3-(1,3-dithiolan-2-yl)phenyl]-4-methylbenzenesulfonamide
CID 27658327
4-fluoro-N-[3-[(2R)-3-(3-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide
CID 93125092
3-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 7635918
3-methyl-N-[4-(3-methylanilino)phenyl]benzenesulfonamide
CID 112986000
4-bromo-N-[3-[(2R)-3-(3-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide
CID 93125090
3-methyl-N-(3-piperidin-1-ylphenyl)benzenesulfonamide
CID 110362158
4-methyl-N-[3-[(2R)-3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide
CID 93125424

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-(4-oxo-1,3-thiazolidin-2-yl)phenyl]benzenesulfonamide?
The IUPAC name of 3-methyl-N-[3-(4-oxo-1,3-thiazolidin-2-yl)phenyl]benzenesulfonamide (CID 46388735) is 3-methyl-N-[3-(4-oxo-1,3-thiazolidin-2-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 3-methyl-N-[3-(4-oxo-1,3-thiazolidin-2-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 3-methyl-N-[3-(4-oxo-1,3-thiazolidin-2-yl)phenyl]benzenesulfonamide is Cc1cccc(S(=O)(=O)Nc2cccc(C3NC(=O)CS3)c2)c1.
What is the InChIKey of 3-methyl-N-[3-(4-oxo-1,3-thiazolidin-2-yl)phenyl]benzenesulfonamide?
The InChIKey is BFEITRUULKFMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3S2/c1-11-4-2-7-14(8-11)23(20,21)18-13-6-3-5-12(9-13)16-17-15(19)10-22-16/h2-9,16,18H,10H2,1H3,(H,17,19).
What are the key properties of 3-methyl-N-[3-(4-oxo-1,3-thiazolidin-2-yl)phenyl]benzenesulfonamide?
3-methyl-N-[3-(4-oxo-1,3-thiazolidin-2-yl)phenyl]benzenesulfonamide has a molecular weight of 348.45 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-(4-oxo-1,3-thiazolidin-2-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 46388735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).