6-[3-cyano-1-cyclopentyl-6-(difluoromethoxy)indol-2-yl]-N-propan-2-ylpyridine-3-sulfonamide

C23H24F2N4O3S — CID 46937863

IUPAC6-[3-cyano-1-cyclopentyl-6-(difluoromethoxy)indol-2-yl]-N-propan-2-ylpyridine-3-sulfonamide
SMILESCC(C)NS(=O)(=O)c1ccc(-c2c(C#N)c3ccc(OC(F)F)cc3n2C2CCCC2)nc1
InChIInChI=1S/C23H24F2N4O3S/c1-14(2)28-33(30,31)17-8-10-20(27-13-17)22-19(12-26)18-9-7-16(32-23(24)25)11-21(18)29(22)15-5-3-4-6-15/h7-11,13-15,23,28H,3-6H2,1-2H3
InChIKeyXXINMNKOCABUPR-UHFFFAOYSA-N
MW474.53 g/mol
LogP4.98
Rot. Bonds7

About 6-[3-cyano-1-cyclopentyl-6-(difluoromethoxy)indol-2-yl]-N-propan-2-ylpyridine-3-sulfonamide

6-[3-cyano-1-cyclopentyl-6-(difluoromethoxy)indol-2-yl]-N-propan-2-ylpyridine-3-sulfonamide (PubChem CID 46937863) has the molecular formula C23H24F2N4O3S and a molecular weight of 474.53 g/mol. Its IUPAC name is 6-[3-cyano-1-cyclopentyl-6-(difluoromethoxy)indol-2-yl]-N-propan-2-ylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[3-cyano-1-cyclopentyl-6-(difluoromethoxy)indol-2-yl]-N-propan-2-ylpyridine-3-sulfonamide
PubChem CID46937863
Molecular FormulaC23H24F2N4O3S
Molecular Weight474.53 g/mol
Exact Mass474.15
IUPAC Name6-[3-cyano-1-cyclopentyl-6-(difluoromethoxy)indol-2-yl]-N-propan-2-ylpyridine-3-sulfonamide
SMILESCC(C)NS(=O)(=O)c1ccc(-c2c(C#N)c3ccc(OC(F)F)cc3n2C2CCCC2)nc1
InChIInChI=1S/C23H24F2N4O3S/c1-14(2)28-33(30,31)17-8-10-20(27-13-17)22-19(12-26)18-9-7-16(32-23(24)25)11-21(18)29(22)15-5-3-4-6-15/h7-11,13-15,23,28H,3-6H2,1-2H3
InChIKeyXXINMNKOCABUPR-UHFFFAOYSA-N
XLogP4.98
TPSA97.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.53
LogP ≤ 54.98
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-cyclopentyl-6-(difluoromethoxy)indol-2-yl]-N-propan-2-ylpyridine-3-sulfonamide?
The IUPAC name of 6-[3-cyano-1-cyclopentyl-6-(difluoromethoxy)indol-2-yl]-N-propan-2-ylpyridine-3-sulfonamide (CID 46937863) is 6-[3-cyano-1-cyclopentyl-6-(difluoromethoxy)indol-2-yl]-N-propan-2-ylpyridine-3-sulfonamide.
What is the SMILES notation for 6-[3-cyano-1-cyclopentyl-6-(difluoromethoxy)indol-2-yl]-N-propan-2-ylpyridine-3-sulfonamide?
The canonical SMILES for 6-[3-cyano-1-cyclopentyl-6-(difluoromethoxy)indol-2-yl]-N-propan-2-ylpyridine-3-sulfonamide is CC(C)NS(=O)(=O)c1ccc(-c2c(C#N)c3ccc(OC(F)F)cc3n2C2CCCC2)nc1.
What is the InChIKey of 6-[3-cyano-1-cyclopentyl-6-(difluoromethoxy)indol-2-yl]-N-propan-2-ylpyridine-3-sulfonamide?
The InChIKey is XXINMNKOCABUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N4O3S/c1-14(2)28-33(30,31)17-8-10-20(27-13-17)22-19(12-26)18-9-7-16(32-23(24)25)11-21(18)29(22)15-5-3-4-6-15/h7-11,13-15,23,28H,3-6H2,1-2H3.
What are the key properties of 6-[3-cyano-1-cyclopentyl-6-(difluoromethoxy)indol-2-yl]-N-propan-2-ylpyridine-3-sulfonamide?
6-[3-cyano-1-cyclopentyl-6-(difluoromethoxy)indol-2-yl]-N-propan-2-ylpyridine-3-sulfonamide has a molecular weight of 474.53 g/mol, XLogP of 4.98, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-cyano-1-cyclopentyl-6-(difluoromethoxy)indol-2-yl]-N-propan-2-ylpyridine-3-sulfonamide is sourced from PubChem (CID 46937863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).