3-(furan-2-ylmethylidene)-2-oxo-N-[4-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide

C20H13F3N2O4S — CID 57062180

IUPAC3-(furan-2-ylmethylidene)-2-oxo-N-[4-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide
SMILESO=C1Nc2ccc(S(=O)(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=Cc1ccco1
InChIInChI=1S/C20H13F3N2O4S/c21-20(22,23)12-3-5-13(6-4-12)25-30(27,28)15-7-8-18-16(11-15)17(19(26)24-18)10-14-2-1-9-29-14/h1-11,25H,(H,24,26)
InChIKeyFVSLLGGWPYHZFB-UHFFFAOYSA-N
MW434.40 g/mol
LogP4.59
Rot. Bonds4

About 3-(furan-2-ylmethylidene)-2-oxo-N-[4-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide

3-(furan-2-ylmethylidene)-2-oxo-N-[4-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide (PubChem CID 57062180) has the molecular formula C20H13F3N2O4S and a molecular weight of 434.40 g/mol. Its IUPAC name is 3-(furan-2-ylmethylidene)-2-oxo-N-[4-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide.

Molecular Properties

Compound Name3-(furan-2-ylmethylidene)-2-oxo-N-[4-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide
PubChem CID57062180
Molecular FormulaC20H13F3N2O4S
Molecular Weight434.40 g/mol
Exact Mass434.05
IUPAC Name3-(furan-2-ylmethylidene)-2-oxo-N-[4-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide
SMILESO=C1Nc2ccc(S(=O)(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=Cc1ccco1
InChIInChI=1S/C20H13F3N2O4S/c21-20(22,23)12-3-5-13(6-4-12)25-30(27,28)15-7-8-18-16(11-15)17(19(26)24-18)10-14-2-1-9-29-14/h1-11,25H,(H,24,26)
InChIKeyFVSLLGGWPYHZFB-UHFFFAOYSA-N
XLogP4.59
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.40
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-ylmethylidene)-2-oxo-N-[4-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide?
The IUPAC name of 3-(furan-2-ylmethylidene)-2-oxo-N-[4-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide (CID 57062180) is 3-(furan-2-ylmethylidene)-2-oxo-N-[4-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide.
What is the SMILES notation for 3-(furan-2-ylmethylidene)-2-oxo-N-[4-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide?
The canonical SMILES for 3-(furan-2-ylmethylidene)-2-oxo-N-[4-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide is O=C1Nc2ccc(S(=O)(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=Cc1ccco1.
What is the InChIKey of 3-(furan-2-ylmethylidene)-2-oxo-N-[4-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide?
The InChIKey is FVSLLGGWPYHZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N2O4S/c21-20(22,23)12-3-5-13(6-4-12)25-30(27,28)15-7-8-18-16(11-15)17(19(26)24-18)10-14-2-1-9-29-14/h1-11,25H,(H,24,26).
What are the key properties of 3-(furan-2-ylmethylidene)-2-oxo-N-[4-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide?
3-(furan-2-ylmethylidene)-2-oxo-N-[4-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide has a molecular weight of 434.40 g/mol, XLogP of 4.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-ylmethylidene)-2-oxo-N-[4-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide is sourced from PubChem (CID 57062180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).