WVLDUIVHOOQSNM-UHFFFAOYSA-N

C₂₄H₂₁Cl₂F₄NOS₂ — CID 126484616

About WVLDUIVHOOQSNM-UHFFFAOYSA-N

WVLDUIVHOOQSNM-UHFFFAOYSA-N (PubChem CID 126484616) has the molecular formula C₂₄H₂₁Cl₂F₄NOS₂ and a molecular weight of 550.47 g/mol. Its IUPAC name is 7-[2-(3,5-dichloro-4-fluorophenyl)-2-(trifluoromethyl)-3H-thiophen-4-yl]-N-(2-methylsulfanylethyl)-2,3-dihydro-1H-indene-4-carboxamide.

Molecular Properties

• Compound Name: WVLDUIVHOOQSNM-UHFFFAOYSA-N
• PubChem CID: 126484616
• Molecular Formula: C₂₄H₂₁Cl₂F₄NOS₂
• Molecular Weight: 550.47 g/mol
• Exact Mass: 549.04
• IUPAC Name: 7-[2-(3,5-dichloro-4-fluorophenyl)-2-(trifluoromethyl)-3H-thiophen-4-yl]-N-(2-methylsulfanylethyl)-2,3-dihydro-1H-indene-4-carboxamide
• SMILES: CSCCNC(=O)c1ccc(C2=CSC(c3cc(Cl)c(F)c(Cl)c3)(C(F)(F)F)C2)c2c1CCC2
• InChI: InChI=1S/C24H21Cl2F4NOS2/c1-33-8-7-31-22(32)18-6-5-15(16-3-2-4-17(16)18)13-11-23(34-12-13,24(28,29)30)14-9-19(25)21(27)20(26)10-14/h5-6,9-10,12H,2-4,7-8,11H2,1H3,(H,31,32)
• InChIKey: WVLDUIVHOOQSNM-UHFFFAOYSA-N
• XLogP: 7.65
• TPSA: 29.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	550.47
LogP ≤ 5	7.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of WVLDUIVHOOQSNM-UHFFFAOYSA-N?

The IUPAC name of WVLDUIVHOOQSNM-UHFFFAOYSA-N (CID 126484616) is 7-[2-(3,5-dichloro-4-fluorophenyl)-2-(trifluoromethyl)-3H-thiophen-4-yl]-N-(2-methylsulfanylethyl)-2,3-dihydro-1H-indene-4-carboxamide.

What is the SMILES notation for WVLDUIVHOOQSNM-UHFFFAOYSA-N?

The canonical SMILES for WVLDUIVHOOQSNM-UHFFFAOYSA-N is CSCCNC(=O)c1ccc(C2=CSC(c3cc(Cl)c(F)c(Cl)c3)(C(F)(F)F)C2)c2c1CCC2.

What is the InChIKey of WVLDUIVHOOQSNM-UHFFFAOYSA-N?

The InChIKey is WVLDUIVHOOQSNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21Cl2F4NOS2/c1-33-8-7-31-22(32)18-6-5-15(16-3-2-4-17(16)18)13-11-23(34-12-13,24(28,29)30)14-9-19(25)21(27)20(26)10-14/h5-6,9-10,12H,2-4,7-8,11H2,1H3,(H,31,32).

What are the key properties of WVLDUIVHOOQSNM-UHFFFAOYSA-N?

WVLDUIVHOOQSNM-UHFFFAOYSA-N has a molecular weight of 550.47 g/mol, XLogP of 7.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for WVLDUIVHOOQSNM-UHFFFAOYSA-N is sourced from PubChem (CID 126484616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 126484616 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.