2,4-difluoro-N-(7-methyl-2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl)benzenesulfonamide

C18H16F2N2O3S — CID 118169107

IUPAC2,4-difluoro-N-(7-methyl-2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(F)cc2F)cc2c1NC(=O)C21CCC1
InChIInChI=1S/C18H16F2N2O3S/c1-10-7-12(9-13-16(10)21-17(23)18(13)5-2-6-18)22-26(24,25)15-4-3-11(19)8-14(15)20/h3-4,7-9,22H,2,5-6H2,1H3,(H,21,23)
InChIKeyKFFXOFJISCZFOR-UHFFFAOYSA-N
MW378.40 g/mol
LogP3.45
Rot. Bonds3

About 2,4-difluoro-N-(7-methyl-2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl)benzenesulfonamide

2,4-difluoro-N-(7-methyl-2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl)benzenesulfonamide (PubChem CID 118169107) has the molecular formula C18H16F2N2O3S and a molecular weight of 378.40 g/mol. Its IUPAC name is 2,4-difluoro-N-(7-methyl-2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-difluoro-N-(7-methyl-2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl)benzenesulfonamide
PubChem CID118169107
Molecular FormulaC18H16F2N2O3S
Molecular Weight378.40 g/mol
Exact Mass378.08
IUPAC Name2,4-difluoro-N-(7-methyl-2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(F)cc2F)cc2c1NC(=O)C21CCC1
InChIInChI=1S/C18H16F2N2O3S/c1-10-7-12(9-13-16(10)21-17(23)18(13)5-2-6-18)22-26(24,25)15-4-3-11(19)8-14(15)20/h3-4,7-9,22H,2,5-6H2,1H3,(H,21,23)
InChIKeyKFFXOFJISCZFOR-UHFFFAOYSA-N
XLogP3.45
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-(7-methyl-2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl)benzenesulfonamide?
The IUPAC name of 2,4-difluoro-N-(7-methyl-2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl)benzenesulfonamide (CID 118169107) is 2,4-difluoro-N-(7-methyl-2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl)benzenesulfonamide.
What is the SMILES notation for 2,4-difluoro-N-(7-methyl-2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl)benzenesulfonamide?
The canonical SMILES for 2,4-difluoro-N-(7-methyl-2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl)benzenesulfonamide is Cc1cc(NS(=O)(=O)c2ccc(F)cc2F)cc2c1NC(=O)C21CCC1.
What is the InChIKey of 2,4-difluoro-N-(7-methyl-2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl)benzenesulfonamide?
The InChIKey is KFFXOFJISCZFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N2O3S/c1-10-7-12(9-13-16(10)21-17(23)18(13)5-2-6-18)22-26(24,25)15-4-3-11(19)8-14(15)20/h3-4,7-9,22H,2,5-6H2,1H3,(H,21,23).
What are the key properties of 2,4-difluoro-N-(7-methyl-2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl)benzenesulfonamide?
2,4-difluoro-N-(7-methyl-2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl)benzenesulfonamide has a molecular weight of 378.40 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-(7-methyl-2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl)benzenesulfonamide is sourced from PubChem (CID 118169107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).