(1'R,4R,10'S)-N'-(4-fluorobenzoyl)-1,1-dioxo-2-(2,2,2-trifluoroethyl)spiro[1,2,5-thiadiazolidine-4,13'-tricyclo[8.2.1.03,8]trideca-3(8),4,6-triene]-5'-carbohydrazide

C24H24F4N4O4S — CID 71121124

IUPAC(1'R,4R,10'S)-N'-(4-fluorobenzoyl)-1,1-dioxo-2-(2,2,2-trifluoroethyl)spiro[1,2,5-thiadiazolidine-4,13'-tricyclo[8.2.1.03,8]trideca-3(8),4,6-triene]-5'-carbohydrazide
SMILESO=C(NNC(=O)c1ccc2c(c1)C[C@H]1CC[C@@H](C2)[C@]12CN(CC(F)(F)F)S(=O)(=O)N2)c1ccc(F)cc1
InChIInChI=1S/C24H24F4N4O4S/c25-20-7-3-14(4-8-20)21(33)29-30-22(34)16-2-1-15-10-18-5-6-19(11-17(15)9-16)23(18)12-32(13-24(26,27)28)37(35,36)31-23/h1-4,7-9,18-19,31H,5-6,10-13H2,(H,29,33)(H,30,34)/t18-,19+,23+/m0/s1
InChIKeyXHVNFHZGOIAJRU-YCRNBWNJSA-N
MW540.54 g/mol
LogP2.48
Rot. Bonds3

About (1'R,4R,10'S)-N'-(4-fluorobenzoyl)-1,1-dioxo-2-(2,2,2-trifluoroethyl)spiro[1,2,5-thiadiazolidine-4,13'-tricyclo[8.2.1.03,8]trideca-3(8),4,6-triene]-5'-carbohydrazide

(1'R,4R,10'S)-N'-(4-fluorobenzoyl)-1,1-dioxo-2-(2,2,2-trifluoroethyl)spiro[1,2,5-thiadiazolidine-4,13'-tricyclo[8.2.1.03,8]trideca-3(8),4,6-triene]-5'-carbohydrazide (PubChem CID 71121124) has the molecular formula C24H24F4N4O4S and a molecular weight of 540.54 g/mol. Its IUPAC name is (1'R,4R,10'S)-N'-(4-fluorobenzoyl)-1,1-dioxo-2-(2,2,2-trifluoroethyl)spiro[1,2,5-thiadiazolidine-4,13'-tricyclo[8.2.1.03,8]trideca-3(8),4,6-triene]-5'-carbohydrazide.

Molecular Properties

Compound Name(1'R,4R,10'S)-N'-(4-fluorobenzoyl)-1,1-dioxo-2-(2,2,2-trifluoroethyl)spiro[1,2,5-thiadiazolidine-4,13'-tricyclo[8.2.1.03,8]trideca-3(8),4,6-triene]-5'-carbohydrazide
PubChem CID71121124
Molecular FormulaC24H24F4N4O4S
Molecular Weight540.54 g/mol
Exact Mass540.15
IUPAC Name(1'R,4R,10'S)-N'-(4-fluorobenzoyl)-1,1-dioxo-2-(2,2,2-trifluoroethyl)spiro[1,2,5-thiadiazolidine-4,13'-tricyclo[8.2.1.03,8]trideca-3(8),4,6-triene]-5'-carbohydrazide
SMILESO=C(NNC(=O)c1ccc2c(c1)C[C@H]1CC[C@@H](C2)[C@]12CN(CC(F)(F)F)S(=O)(=O)N2)c1ccc(F)cc1
InChIInChI=1S/C24H24F4N4O4S/c25-20-7-3-14(4-8-20)21(33)29-30-22(34)16-2-1-15-10-18-5-6-19(11-17(15)9-16)23(18)12-32(13-24(26,27)28)37(35,36)31-23/h1-4,7-9,18-19,31H,5-6,10-13H2,(H,29,33)(H,30,34)/t18-,19+,23+/m0/s1
InChIKeyXHVNFHZGOIAJRU-YCRNBWNJSA-N
XLogP2.48
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.54
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (1'R,4R,10'S)-N'-(4-fluorobenzoyl)-1,1-dioxo-2-(2,2,2-trifluoroethyl)spiro[1,2,5-thiadiazolidine-4,13'-tricyclo[8.2.1.03,8]trideca-3(8),4,6-triene]-5'-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1'R,4R,10'S)-N'-(4-fluorobenzoyl)-1,1-dioxo-2-(2,2,2-trifluoroethyl)spiro[1,2,5-thiadiazolidine-4,13'-tricyclo[8.2.1.03,8]trideca-3(8),4,6-triene]-5'-carbohydrazide?
The IUPAC name of (1'R,4R,10'S)-N'-(4-fluorobenzoyl)-1,1-dioxo-2-(2,2,2-trifluoroethyl)spiro[1,2,5-thiadiazolidine-4,13'-tricyclo[8.2.1.03,8]trideca-3(8),4,6-triene]-5'-carbohydrazide (CID 71121124) is (1'R,4R,10'S)-N'-(4-fluorobenzoyl)-1,1-dioxo-2-(2,2,2-trifluoroethyl)spiro[1,2,5-thiadiazolidine-4,13'-tricyclo[8.2.1.03,8]trideca-3(8),4,6-triene]-5'-carbohydrazide.
What is the SMILES notation for (1'R,4R,10'S)-N'-(4-fluorobenzoyl)-1,1-dioxo-2-(2,2,2-trifluoroethyl)spiro[1,2,5-thiadiazolidine-4,13'-tricyclo[8.2.1.03,8]trideca-3(8),4,6-triene]-5'-carbohydrazide?
The canonical SMILES for (1'R,4R,10'S)-N'-(4-fluorobenzoyl)-1,1-dioxo-2-(2,2,2-trifluoroethyl)spiro[1,2,5-thiadiazolidine-4,13'-tricyclo[8.2.1.03,8]trideca-3(8),4,6-triene]-5'-carbohydrazide is O=C(NNC(=O)c1ccc2c(c1)C[C@H]1CC[C@@H](C2)[C@]12CN(CC(F)(F)F)S(=O)(=O)N2)c1ccc(F)cc1.
What is the InChIKey of (1'R,4R,10'S)-N'-(4-fluorobenzoyl)-1,1-dioxo-2-(2,2,2-trifluoroethyl)spiro[1,2,5-thiadiazolidine-4,13'-tricyclo[8.2.1.03,8]trideca-3(8),4,6-triene]-5'-carbohydrazide?
The InChIKey is XHVNFHZGOIAJRU-YCRNBWNJSA-N. The full InChI is InChI=1S/C24H24F4N4O4S/c25-20-7-3-14(4-8-20)21(33)29-30-22(34)16-2-1-15-10-18-5-6-19(11-17(15)9-16)23(18)12-32(13-24(26,27)28)37(35,36)31-23/h1-4,7-9,18-19,31H,5-6,10-13H2,(H,29,33)(H,30,34)/t18-,19+,23+/m0/s1.
What are the key properties of (1'R,4R,10'S)-N'-(4-fluorobenzoyl)-1,1-dioxo-2-(2,2,2-trifluoroethyl)spiro[1,2,5-thiadiazolidine-4,13'-tricyclo[8.2.1.03,8]trideca-3(8),4,6-triene]-5'-carbohydrazide?
(1'R,4R,10'S)-N'-(4-fluorobenzoyl)-1,1-dioxo-2-(2,2,2-trifluoroethyl)spiro[1,2,5-thiadiazolidine-4,13'-tricyclo[8.2.1.03,8]trideca-3(8),4,6-triene]-5'-carbohydrazide has a molecular weight of 540.54 g/mol, XLogP of 2.48, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1'R,4R,10'S)-N'-(4-fluorobenzoyl)-1,1-dioxo-2-(2,2,2-trifluoroethyl)spiro[1,2,5-thiadiazolidine-4,13'-tricyclo[8.2.1.03,8]trideca-3(8),4,6-triene]-5'-carbohydrazide is sourced from PubChem (CID 71121124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).