6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]-N-(1-fluoro-2-methylpropan-2-yl)pyridine-3-sulfonamide

C23H23F3N4O3S — CID 46938030

IUPAC6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]-N-(1-fluoro-2-methylpropan-2-yl)pyridine-3-sulfonamide
SMILESCC(C)(CF)NS(=O)(=O)c1ccc(-c2c(C#N)c3ccc(OC(F)F)cc3n2C2CCC2)nc1
InChIInChI=1S/C23H23F3N4O3S/c1-23(2,13-24)29-34(31,32)16-7-9-19(28-12-16)21-18(11-27)17-8-6-15(33-22(25)26)10-20(17)30(21)14-4-3-5-14/h6-10,12,14,22,29H,3-5,13H2,1-2H3
InChIKeyXSIXTELQXHOZDL-UHFFFAOYSA-N
MW492.52 g/mol
LogP4.93
Rot. Bonds8

About 6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]-N-(1-fluoro-2-methylpropan-2-yl)pyridine-3-sulfonamide

6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]-N-(1-fluoro-2-methylpropan-2-yl)pyridine-3-sulfonamide (PubChem CID 46938030) has the molecular formula C23H23F3N4O3S and a molecular weight of 492.52 g/mol. Its IUPAC name is 6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]-N-(1-fluoro-2-methylpropan-2-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]-N-(1-fluoro-2-methylpropan-2-yl)pyridine-3-sulfonamide
PubChem CID46938030
Molecular FormulaC23H23F3N4O3S
Molecular Weight492.52 g/mol
Exact Mass492.14
IUPAC Name6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]-N-(1-fluoro-2-methylpropan-2-yl)pyridine-3-sulfonamide
SMILESCC(C)(CF)NS(=O)(=O)c1ccc(-c2c(C#N)c3ccc(OC(F)F)cc3n2C2CCC2)nc1
InChIInChI=1S/C23H23F3N4O3S/c1-23(2,13-24)29-34(31,32)16-7-9-19(28-12-16)21-18(11-27)17-8-6-15(33-22(25)26)10-20(17)30(21)14-4-3-5-14/h6-10,12,14,22,29H,3-5,13H2,1-2H3
InChIKeyXSIXTELQXHOZDL-UHFFFAOYSA-N
XLogP4.93
TPSA97.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.52
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]-N-(1-fluoro-2-methylpropan-2-yl)pyridine-3-sulfonamide?
The IUPAC name of 6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]-N-(1-fluoro-2-methylpropan-2-yl)pyridine-3-sulfonamide (CID 46938030) is 6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]-N-(1-fluoro-2-methylpropan-2-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]-N-(1-fluoro-2-methylpropan-2-yl)pyridine-3-sulfonamide?
The canonical SMILES for 6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]-N-(1-fluoro-2-methylpropan-2-yl)pyridine-3-sulfonamide is CC(C)(CF)NS(=O)(=O)c1ccc(-c2c(C#N)c3ccc(OC(F)F)cc3n2C2CCC2)nc1.
What is the InChIKey of 6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]-N-(1-fluoro-2-methylpropan-2-yl)pyridine-3-sulfonamide?
The InChIKey is XSIXTELQXHOZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N4O3S/c1-23(2,13-24)29-34(31,32)16-7-9-19(28-12-16)21-18(11-27)17-8-6-15(33-22(25)26)10-20(17)30(21)14-4-3-5-14/h6-10,12,14,22,29H,3-5,13H2,1-2H3.
What are the key properties of 6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]-N-(1-fluoro-2-methylpropan-2-yl)pyridine-3-sulfonamide?
6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]-N-(1-fluoro-2-methylpropan-2-yl)pyridine-3-sulfonamide has a molecular weight of 492.52 g/mol, XLogP of 4.93, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-cyano-1-cyclobutyl-6-(difluoromethoxy)indol-2-yl]-N-(1-fluoro-2-methylpropan-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 46938030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).