2,5-difluoro-N-(2-oxo-3-propan-2-ylidene-1H-indol-5-yl)benzenesulfonamide

C17H14F2N2O3S — CID 162664712

IUPAC2,5-difluoro-N-(2-oxo-3-propan-2-ylidene-1H-indol-5-yl)benzenesulfonamide
SMILESCC(C)=C1C(=O)Nc2ccc(NS(=O)(=O)c3cc(F)ccc3F)cc21
InChIInChI=1S/C17H14F2N2O3S/c1-9(2)16-12-8-11(4-6-14(12)20-17(16)22)21-25(23,24)15-7-10(18)3-5-13(15)19/h3-8,21H,1-2H3,(H,20,22)
InChIKeyXMLXGYPZWMOZOJ-UHFFFAOYSA-N
MW364.37 g/mol
LogP3.51
Rot. Bonds3

About 2,5-difluoro-N-(2-oxo-3-propan-2-ylidene-1H-indol-5-yl)benzenesulfonamide

2,5-difluoro-N-(2-oxo-3-propan-2-ylidene-1H-indol-5-yl)benzenesulfonamide (PubChem CID 162664712) has the molecular formula C17H14F2N2O3S and a molecular weight of 364.37 g/mol. Its IUPAC name is 2,5-difluoro-N-(2-oxo-3-propan-2-ylidene-1H-indol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-difluoro-N-(2-oxo-3-propan-2-ylidene-1H-indol-5-yl)benzenesulfonamide
PubChem CID162664712
Molecular FormulaC17H14F2N2O3S
Molecular Weight364.37 g/mol
Exact Mass364.07
IUPAC Name2,5-difluoro-N-(2-oxo-3-propan-2-ylidene-1H-indol-5-yl)benzenesulfonamide
SMILESCC(C)=C1C(=O)Nc2ccc(NS(=O)(=O)c3cc(F)ccc3F)cc21
InChIInChI=1S/C17H14F2N2O3S/c1-9(2)16-12-8-11(4-6-14(12)20-17(16)22)21-25(23,24)15-7-10(18)3-5-13(15)19/h3-8,21H,1-2H3,(H,20,22)
InChIKeyXMLXGYPZWMOZOJ-UHFFFAOYSA-N
XLogP3.51
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 2,5-difluoro-N-(2-oxo-3-propan-2-ylidene-1H-indol-5-yl)benzenesulfonamide?
The IUPAC name of 2,5-difluoro-N-(2-oxo-3-propan-2-ylidene-1H-indol-5-yl)benzenesulfonamide (CID 162664712) is 2,5-difluoro-N-(2-oxo-3-propan-2-ylidene-1H-indol-5-yl)benzenesulfonamide.
What is the SMILES notation for 2,5-difluoro-N-(2-oxo-3-propan-2-ylidene-1H-indol-5-yl)benzenesulfonamide?
The canonical SMILES for 2,5-difluoro-N-(2-oxo-3-propan-2-ylidene-1H-indol-5-yl)benzenesulfonamide is CC(C)=C1C(=O)Nc2ccc(NS(=O)(=O)c3cc(F)ccc3F)cc21.
What is the InChIKey of 2,5-difluoro-N-(2-oxo-3-propan-2-ylidene-1H-indol-5-yl)benzenesulfonamide?
The InChIKey is XMLXGYPZWMOZOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N2O3S/c1-9(2)16-12-8-11(4-6-14(12)20-17(16)22)21-25(23,24)15-7-10(18)3-5-13(15)19/h3-8,21H,1-2H3,(H,20,22).
What are the key properties of 2,5-difluoro-N-(2-oxo-3-propan-2-ylidene-1H-indol-5-yl)benzenesulfonamide?
2,5-difluoro-N-(2-oxo-3-propan-2-ylidene-1H-indol-5-yl)benzenesulfonamide has a molecular weight of 364.37 g/mol, XLogP of 3.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-(2-oxo-3-propan-2-ylidene-1H-indol-5-yl)benzenesulfonamide is sourced from PubChem (CID 162664712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).