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

C17H21FN2O3S2 — CID 18811391

IUPAC(NE)-N-(3-cyclohexyl-5,5-dimethyl-4-oxo-1,3-thiazolidin-2-ylidene)-4-fluorobenzenesulfonamide
SMILESCC1(C)S/C(=N/S(=O)(=O)c2ccc(F)cc2)N(C2CCCCC2)C1=O
InChIInChI=1S/C17H21FN2O3S2/c1-17(2)15(21)20(13-6-4-3-5-7-13)16(24-17)19-25(22,23)14-10-8-12(18)9-11-14/h8-11,13H,3-7H2,1-2H3/b19-16+
InChIKeyHJCVWKGSMHIPRG-KNTRCKAVSA-N
MW384.50 g/mol
LogP3.56
Rot. Bonds3

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

(NE)-N-(3-cyclohexyl-5,5-dimethyl-4-oxo-1,3-thiazolidin-2-ylidene)-4-fluorobenzenesulfonamide (PubChem CID 18811391) has the molecular formula C17H21FN2O3S2 and a molecular weight of 384.50 g/mol. Its IUPAC name is (NE)-N-(3-cyclohexyl-5,5-dimethyl-4-oxo-1,3-thiazolidin-2-ylidene)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name(NE)-N-(3-cyclohexyl-5,5-dimethyl-4-oxo-1,3-thiazolidin-2-ylidene)-4-fluorobenzenesulfonamide
PubChem CID18811391
Molecular FormulaC17H21FN2O3S2
Molecular Weight384.50 g/mol
Exact Mass384.10
IUPAC Name(NE)-N-(3-cyclohexyl-5,5-dimethyl-4-oxo-1,3-thiazolidin-2-ylidene)-4-fluorobenzenesulfonamide
SMILESCC1(C)S/C(=N/S(=O)(=O)c2ccc(F)cc2)N(C2CCCCC2)C1=O
InChIInChI=1S/C17H21FN2O3S2/c1-17(2)15(21)20(13-6-4-3-5-7-13)16(24-17)19-25(22,23)14-10-8-12(18)9-11-14/h8-11,13H,3-7H2,1-2H3/b19-16+
InChIKeyHJCVWKGSMHIPRG-KNTRCKAVSA-N
XLogP3.56
TPSA66.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 53.56
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 (NE)-N-(3-cyclohexyl-5,5-dimethyl-4-oxo-1,3-thiazolidin-2-ylidene)-4-fluorobenzenesulfonamide?
The IUPAC name of (NE)-N-(3-cyclohexyl-5,5-dimethyl-4-oxo-1,3-thiazolidin-2-ylidene)-4-fluorobenzenesulfonamide (CID 18811391) is (NE)-N-(3-cyclohexyl-5,5-dimethyl-4-oxo-1,3-thiazolidin-2-ylidene)-4-fluorobenzenesulfonamide.
What is the SMILES notation for (NE)-N-(3-cyclohexyl-5,5-dimethyl-4-oxo-1,3-thiazolidin-2-ylidene)-4-fluorobenzenesulfonamide?
The canonical SMILES for (NE)-N-(3-cyclohexyl-5,5-dimethyl-4-oxo-1,3-thiazolidin-2-ylidene)-4-fluorobenzenesulfonamide is CC1(C)S/C(=N/S(=O)(=O)c2ccc(F)cc2)N(C2CCCCC2)C1=O.
What is the InChIKey of (NE)-N-(3-cyclohexyl-5,5-dimethyl-4-oxo-1,3-thiazolidin-2-ylidene)-4-fluorobenzenesulfonamide?
The InChIKey is HJCVWKGSMHIPRG-KNTRCKAVSA-N. The full InChI is InChI=1S/C17H21FN2O3S2/c1-17(2)15(21)20(13-6-4-3-5-7-13)16(24-17)19-25(22,23)14-10-8-12(18)9-11-14/h8-11,13H,3-7H2,1-2H3/b19-16+.
What are the key properties of (NE)-N-(3-cyclohexyl-5,5-dimethyl-4-oxo-1,3-thiazolidin-2-ylidene)-4-fluorobenzenesulfonamide?
(NE)-N-(3-cyclohexyl-5,5-dimethyl-4-oxo-1,3-thiazolidin-2-ylidene)-4-fluorobenzenesulfonamide has a molecular weight of 384.50 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(3-cyclohexyl-5,5-dimethyl-4-oxo-1,3-thiazolidin-2-ylidene)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 18811391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).