5-chloro-N-[2-[(5Z)-5-[[1-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]indazol-5-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-1,3-dimethylpyrazole-4-sulfonamide

C26H21Cl2F3N6O4S2 — CID 58530669

About 5-chloro-N-[2-[(5Z)-5-[[1-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]indazol-5-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-1,3-dimethylpyrazole-4-sulfonamide

5-chloro-N-[2-[(5Z)-5-[[1-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]indazol-5-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-1,3-dimethylpyrazole-4-sulfonamide (PubChem CID 58530669) has the molecular formula C26H21Cl2F3N6O4S2 and a molecular weight of 673.53 g/mol. Its IUPAC name is 5-chloro-N-[2-[(5Z)-5-[[1-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]indazol-5-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-1,3-dimethylpyrazole-4-sulfonamide.

Molecular Properties

• Compound Name: 5-chloro-N-[2-[(5Z)-5-[[1-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]indazol-5-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-1,3-dimethylpyrazole-4-sulfonamide
• PubChem CID: 58530669
• Molecular Formula: C26H21Cl2F3N6O4S2
• Molecular Weight: 673.53 g/mol
• Exact Mass: 672.04
• IUPAC Name: 5-chloro-N-[2-[(5Z)-5-[[1-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]indazol-5-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-1,3-dimethylpyrazole-4-sulfonamide
• SMILES: Cc1nn(C)c(Cl)c1S(=O)(=O)NCCN1C(=O)S/C(=C\c2ccc3c(cnn3Cc3ccc(Cl)cc3C(F)(F)F)c2)C1=O
• InChI: InChI=1S/C26H21Cl2F3N6O4S2/c1-14-22(23(28)35(2)34-14)43(40,41)33-7-8-36-24(38)21(42-25(36)39)10-15-3-6-20-17(9-15)12-32-37(20)13-16-4-5-18(27)11-19(16)26(29,30)31/h3-6,9-12,33H,7-8,13H2,1-2H3/b21-10-
• InChIKey: VYSGJOLFRWBKQT-FBHDLOMBSA-N
• XLogP: 5.47
• TPSA: 119.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	673.53
LogP ≤ 5	5.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-[(5Z)-5-[[1-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]indazol-5-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-1,3-dimethylpyrazole-4-sulfonamide?

The IUPAC name of 5-chloro-N-[2-[(5Z)-5-[[1-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]indazol-5-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-1,3-dimethylpyrazole-4-sulfonamide (CID 58530669) is 5-chloro-N-[2-[(5Z)-5-[[1-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]indazol-5-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-1,3-dimethylpyrazole-4-sulfonamide.

What is the SMILES notation for 5-chloro-N-[2-[(5Z)-5-[[1-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]indazol-5-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-1,3-dimethylpyrazole-4-sulfonamide?

The canonical SMILES for 5-chloro-N-[2-[(5Z)-5-[[1-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]indazol-5-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-1,3-dimethylpyrazole-4-sulfonamide is Cc1nn(C)c(Cl)c1S(=O)(=O)NCCN1C(=O)S/C(=C\c2ccc3c(cnn3Cc3ccc(Cl)cc3C(F)(F)F)c2)C1=O.

What is the InChIKey of 5-chloro-N-[2-[(5Z)-5-[[1-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]indazol-5-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-1,3-dimethylpyrazole-4-sulfonamide?

The InChIKey is VYSGJOLFRWBKQT-FBHDLOMBSA-N. The full InChI is InChI=1S/C26H21Cl2F3N6O4S2/c1-14-22(23(28)35(2)34-14)43(40,41)33-7-8-36-24(38)21(42-25(36)39)10-15-3-6-20-17(9-15)12-32-37(20)13-16-4-5-18(27)11-19(16)26(29,30)31/h3-6,9-12,33H,7-8,13H2,1-2H3/b21-10-.

What are the key properties of 5-chloro-N-[2-[(5Z)-5-[[1-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]indazol-5-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-1,3-dimethylpyrazole-4-sulfonamide?

5-chloro-N-[2-[(5Z)-5-[[1-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]indazol-5-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-1,3-dimethylpyrazole-4-sulfonamide has a molecular weight of 673.53 g/mol, XLogP of 5.47, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-[2-[(5Z)-5-[[1-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]indazol-5-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-1,3-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 58530669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).