4-[[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]amino]benzenesulfonamide

C15H14FN3O3S2 — CID 70691164

IUPAC4-[[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NN2C(=O)CSC2c2ccc(F)cc2)cc1
InChIInChI=1S/C15H14FN3O3S2/c16-11-3-1-10(2-4-11)15-19(14(20)9-23-15)18-12-5-7-13(8-6-12)24(17,21)22/h1-8,15,18H,9H2,(H2,17,21,22)
InChIKeyBSVYAVGKELKMSW-UHFFFAOYSA-N
MW367.43 g/mol
LogP2.07
Rot. Bonds4

About 4-[[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]amino]benzenesulfonamide

4-[[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]amino]benzenesulfonamide (PubChem CID 70691164) has the molecular formula C15H14FN3O3S2 and a molecular weight of 367.43 g/mol. Its IUPAC name is 4-[[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]amino]benzenesulfonamide
PubChem CID70691164
Molecular FormulaC15H14FN3O3S2
Molecular Weight367.43 g/mol
Exact Mass367.05
IUPAC Name4-[[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NN2C(=O)CSC2c2ccc(F)cc2)cc1
InChIInChI=1S/C15H14FN3O3S2/c16-11-3-1-10(2-4-11)15-19(14(20)9-23-15)18-12-5-7-13(8-6-12)24(17,21)22/h1-8,15,18H,9H2,(H2,17,21,22)
InChIKeyBSVYAVGKELKMSW-UHFFFAOYSA-N
XLogP2.07
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]amino]benzenesulfonamide?
The IUPAC name of 4-[[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]amino]benzenesulfonamide (CID 70691164) is 4-[[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]amino]benzenesulfonamide.
What is the SMILES notation for 4-[[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]amino]benzenesulfonamide?
The canonical SMILES for 4-[[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]amino]benzenesulfonamide is NS(=O)(=O)c1ccc(NN2C(=O)CSC2c2ccc(F)cc2)cc1.
What is the InChIKey of 4-[[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]amino]benzenesulfonamide?
The InChIKey is BSVYAVGKELKMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O3S2/c16-11-3-1-10(2-4-11)15-19(14(20)9-23-15)18-12-5-7-13(8-6-12)24(17,21)22/h1-8,15,18H,9H2,(H2,17,21,22).
What are the key properties of 4-[[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]amino]benzenesulfonamide?
4-[[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]amino]benzenesulfonamide has a molecular weight of 367.43 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]amino]benzenesulfonamide is sourced from PubChem (CID 70691164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).