N-(7-ethyl-2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl)-2,4-difluorobenzenesulfonamide

C19H18F2N2O3S — CID 118169093

IUPACN-(7-ethyl-2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl)-2,4-difluorobenzenesulfonamide
SMILESCCc1cc(NS(=O)(=O)c2ccc(F)cc2F)cc2c1NC(=O)C21CCC1
InChIInChI=1S/C19H18F2N2O3S/c1-2-11-8-13(10-14-17(11)22-18(24)19(14)6-3-7-19)23-27(25,26)16-5-4-12(20)9-15(16)21/h4-5,8-10,23H,2-3,6-7H2,1H3,(H,22,24)
InChIKeyZXUULHCNJMKSKU-UHFFFAOYSA-N
MW392.43 g/mol
LogP3.70
Rot. Bonds4

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

N-(7-ethyl-2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl)-2,4-difluorobenzenesulfonamide (PubChem CID 118169093) has the molecular formula C19H18F2N2O3S and a molecular weight of 392.43 g/mol. Its IUPAC name is N-(7-ethyl-2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl)-2,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(7-ethyl-2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl)-2,4-difluorobenzenesulfonamide
PubChem CID118169093
Molecular FormulaC19H18F2N2O3S
Molecular Weight392.43 g/mol
Exact Mass392.10
IUPAC NameN-(7-ethyl-2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl)-2,4-difluorobenzenesulfonamide
SMILESCCc1cc(NS(=O)(=O)c2ccc(F)cc2F)cc2c1NC(=O)C21CCC1
InChIInChI=1S/C19H18F2N2O3S/c1-2-11-8-13(10-14-17(11)22-18(24)19(14)6-3-7-19)23-27(25,26)16-5-4-12(20)9-15(16)21/h4-5,8-10,23H,2-3,6-7H2,1H3,(H,22,24)
InChIKeyZXUULHCNJMKSKU-UHFFFAOYSA-N
XLogP3.70
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(7-ethyl-2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl)-2,4-difluorobenzenesulfonamide?
The IUPAC name of N-(7-ethyl-2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl)-2,4-difluorobenzenesulfonamide (CID 118169093) is N-(7-ethyl-2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl)-2,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-(7-ethyl-2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl)-2,4-difluorobenzenesulfonamide?
The canonical SMILES for N-(7-ethyl-2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl)-2,4-difluorobenzenesulfonamide is CCc1cc(NS(=O)(=O)c2ccc(F)cc2F)cc2c1NC(=O)C21CCC1.
What is the InChIKey of N-(7-ethyl-2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl)-2,4-difluorobenzenesulfonamide?
The InChIKey is ZXUULHCNJMKSKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N2O3S/c1-2-11-8-13(10-14-17(11)22-18(24)19(14)6-3-7-19)23-27(25,26)16-5-4-12(20)9-15(16)21/h4-5,8-10,23H,2-3,6-7H2,1H3,(H,22,24).
What are the key properties of N-(7-ethyl-2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl)-2,4-difluorobenzenesulfonamide?
N-(7-ethyl-2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl)-2,4-difluorobenzenesulfonamide has a molecular weight of 392.43 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-ethyl-2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl)-2,4-difluorobenzenesulfonamide is sourced from PubChem (CID 118169093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).