3-[(3-fluoro-2-hydroxyphenyl)methylidene]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide

C22H14F4N2O4S — CID 56988116

IUPAC3-[(3-fluoro-2-hydroxyphenyl)methylidene]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide
SMILESO=C1Nc2ccc(S(=O)(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=Cc1cccc(F)c1O
InChIInChI=1S/C22H14F4N2O4S/c23-18-3-1-2-12(20(18)29)10-17-16-11-15(8-9-19(16)27-21(17)30)33(31,32)28-14-6-4-13(5-7-14)22(24,25)26/h1-11,28-29H,(H,27,30)
InChIKeyDVWWDAWIRNUJRX-UHFFFAOYSA-N
MW478.42 g/mol
LogP4.84
Rot. Bonds4

About 3-[(3-fluoro-2-hydroxyphenyl)methylidene]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide

3-[(3-fluoro-2-hydroxyphenyl)methylidene]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide (PubChem CID 56988116) has the molecular formula C22H14F4N2O4S and a molecular weight of 478.42 g/mol. Its IUPAC name is 3-[(3-fluoro-2-hydroxyphenyl)methylidene]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide.

Molecular Properties

Compound Name3-[(3-fluoro-2-hydroxyphenyl)methylidene]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide
PubChem CID56988116
Molecular FormulaC22H14F4N2O4S
Molecular Weight478.42 g/mol
Exact Mass478.06
IUPAC Name3-[(3-fluoro-2-hydroxyphenyl)methylidene]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide
SMILESO=C1Nc2ccc(S(=O)(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=Cc1cccc(F)c1O
InChIInChI=1S/C22H14F4N2O4S/c23-18-3-1-2-12(20(18)29)10-17-16-11-15(8-9-19(16)27-21(17)30)33(31,32)28-14-6-4-13(5-7-14)22(24,25)26/h1-11,28-29H,(H,27,30)
InChIKeyDVWWDAWIRNUJRX-UHFFFAOYSA-N
XLogP4.84
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.42
LogP ≤ 54.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-fluorophenyl)methylidene]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide
CID 57305075
3-[(2,4-difluorophenyl)methylidene]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide
CID 57050513
3-[[2-(4-chlorophenyl)sulfanylphenyl]methylidene]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide
CID 57217571
3-[(3,5-dihydroxyphenyl)methylidene]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide
CID 70001866
3-[(2-chloro-4-hydroxyphenyl)methylidene]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide
CID 57097083
3-(furan-2-ylmethylidene)-2-oxo-N-[4-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide
CID 57062180
3-[(2-hydroxy-5-nitrophenyl)methylidene]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide
CID 57131963
3-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide
CID 56992497
2-oxo-3-[(3-phenoxyphenyl)methylidene]-N-[4-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide
CID 57193715
3-[(5-methylfuran-2-yl)methylidene]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide
CID 57212134
2-oxo-N-[4-(trifluoromethyl)phenyl]-3-[(2,4,6-trimethoxyphenyl)methylidene]-1H-indole-5-sulfonamide
CID 57127499
3-[[4-(dimethylamino)-2-methoxyphenyl]methylidene]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide
CID 57044958

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluoro-2-hydroxyphenyl)methylidene]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide?
The IUPAC name of 3-[(3-fluoro-2-hydroxyphenyl)methylidene]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide (CID 56988116) is 3-[(3-fluoro-2-hydroxyphenyl)methylidene]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide.
What is the SMILES notation for 3-[(3-fluoro-2-hydroxyphenyl)methylidene]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide?
The canonical SMILES for 3-[(3-fluoro-2-hydroxyphenyl)methylidene]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide is O=C1Nc2ccc(S(=O)(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=Cc1cccc(F)c1O.
What is the InChIKey of 3-[(3-fluoro-2-hydroxyphenyl)methylidene]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide?
The InChIKey is DVWWDAWIRNUJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F4N2O4S/c23-18-3-1-2-12(20(18)29)10-17-16-11-15(8-9-19(16)27-21(17)30)33(31,32)28-14-6-4-13(5-7-14)22(24,25)26/h1-11,28-29H,(H,27,30).
What are the key properties of 3-[(3-fluoro-2-hydroxyphenyl)methylidene]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide?
3-[(3-fluoro-2-hydroxyphenyl)methylidene]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide has a molecular weight of 478.42 g/mol, XLogP of 4.84, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluoro-2-hydroxyphenyl)methylidene]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide is sourced from PubChem (CID 56988116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).