N-(3-cyclohexyl-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene)-4-fluorobenzenesulfonamide

C16H19FN2O3S2 — CID 3918664

IUPACN-(3-cyclohexyl-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene)-4-fluorobenzenesulfonamide
SMILESCC1SC(=NS(=O)(=O)c2ccc(F)cc2)N(C2CCCCC2)C1=O
InChIInChI=1S/C16H19FN2O3S2/c1-11-15(20)19(13-5-3-2-4-6-13)16(23-11)18-24(21,22)14-9-7-12(17)8-10-14/h7-11,13H,2-6H2,1H3
InChIKeyYIIRFWXDYNUXOM-UHFFFAOYSA-N
MW370.47 g/mol
LogP3.17
Rot. Bonds3

About N-(3-cyclohexyl-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene)-4-fluorobenzenesulfonamide

N-(3-cyclohexyl-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene)-4-fluorobenzenesulfonamide (PubChem CID 3918664) has the molecular formula C16H19FN2O3S2 and a molecular weight of 370.47 g/mol. Its IUPAC name is N-(3-cyclohexyl-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(3-cyclohexyl-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene)-4-fluorobenzenesulfonamide
PubChem CID3918664
Molecular FormulaC16H19FN2O3S2
Molecular Weight370.47 g/mol
Exact Mass370.08
IUPAC NameN-(3-cyclohexyl-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene)-4-fluorobenzenesulfonamide
SMILESCC1SC(=NS(=O)(=O)c2ccc(F)cc2)N(C2CCCCC2)C1=O
InChIInChI=1S/C16H19FN2O3S2/c1-11-15(20)19(13-5-3-2-4-6-13)16(23-11)18-24(21,22)14-9-7-12(17)8-10-14/h7-11,13H,2-6H2,1H3
InChIKeyYIIRFWXDYNUXOM-UHFFFAOYSA-N
XLogP3.17
TPSA66.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexyl-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene)-4-fluorobenzenesulfonamide?
The IUPAC name of N-(3-cyclohexyl-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene)-4-fluorobenzenesulfonamide (CID 3918664) is N-(3-cyclohexyl-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene)-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-(3-cyclohexyl-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene)-4-fluorobenzenesulfonamide?
The canonical SMILES for N-(3-cyclohexyl-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene)-4-fluorobenzenesulfonamide is CC1SC(=NS(=O)(=O)c2ccc(F)cc2)N(C2CCCCC2)C1=O.
What is the InChIKey of N-(3-cyclohexyl-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene)-4-fluorobenzenesulfonamide?
The InChIKey is YIIRFWXDYNUXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O3S2/c1-11-15(20)19(13-5-3-2-4-6-13)16(23-11)18-24(21,22)14-9-7-12(17)8-10-14/h7-11,13H,2-6H2,1H3.
What are the key properties of N-(3-cyclohexyl-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene)-4-fluorobenzenesulfonamide?
N-(3-cyclohexyl-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene)-4-fluorobenzenesulfonamide has a molecular weight of 370.47 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexyl-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 3918664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).