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

C21H22F2N4O3S — CID 46916981

IUPAC6-[3-cyano-6-(difluoromethoxy)-1-propan-2-ylindol-2-yl]-N-propan-2-ylpyridine-3-sulfonamide
SMILESCC(C)NS(=O)(=O)c1ccc(-c2c(C#N)c3ccc(OC(F)F)cc3n2C(C)C)nc1
InChIInChI=1S/C21H22F2N4O3S/c1-12(2)26-31(28,29)15-6-8-18(25-11-15)20-17(10-24)16-7-5-14(30-21(22)23)9-19(16)27(20)13(3)4/h5-9,11-13,21,26H,1-4H3
InChIKeyXWLICJULIURUGH-UHFFFAOYSA-N
MW448.50 g/mol
LogP4.44
Rot. Bonds7

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

6-[3-cyano-6-(difluoromethoxy)-1-propan-2-ylindol-2-yl]-N-propan-2-ylpyridine-3-sulfonamide (PubChem CID 46916981) has the molecular formula C21H22F2N4O3S and a molecular weight of 448.50 g/mol. Its IUPAC name is 6-[3-cyano-6-(difluoromethoxy)-1-propan-2-ylindol-2-yl]-N-propan-2-ylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[3-cyano-6-(difluoromethoxy)-1-propan-2-ylindol-2-yl]-N-propan-2-ylpyridine-3-sulfonamide
PubChem CID46916981
Molecular FormulaC21H22F2N4O3S
Molecular Weight448.50 g/mol
Exact Mass448.14
IUPAC Name6-[3-cyano-6-(difluoromethoxy)-1-propan-2-ylindol-2-yl]-N-propan-2-ylpyridine-3-sulfonamide
SMILESCC(C)NS(=O)(=O)c1ccc(-c2c(C#N)c3ccc(OC(F)F)cc3n2C(C)C)nc1
InChIInChI=1S/C21H22F2N4O3S/c1-12(2)26-31(28,29)15-6-8-18(25-11-15)20-17(10-24)16-7-5-14(30-21(22)23)9-19(16)27(20)13(3)4/h5-9,11-13,21,26H,1-4H3
InChIKeyXWLICJULIURUGH-UHFFFAOYSA-N
XLogP4.44
TPSA97.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.50
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[3-cyano-6-(difluoromethoxy)-1-propan-2-ylindol-2-yl]-N-propan-2-ylpyridine-3-sulfonamide?
The IUPAC name of 6-[3-cyano-6-(difluoromethoxy)-1-propan-2-ylindol-2-yl]-N-propan-2-ylpyridine-3-sulfonamide (CID 46916981) is 6-[3-cyano-6-(difluoromethoxy)-1-propan-2-ylindol-2-yl]-N-propan-2-ylpyridine-3-sulfonamide.
What is the SMILES notation for 6-[3-cyano-6-(difluoromethoxy)-1-propan-2-ylindol-2-yl]-N-propan-2-ylpyridine-3-sulfonamide?
The canonical SMILES for 6-[3-cyano-6-(difluoromethoxy)-1-propan-2-ylindol-2-yl]-N-propan-2-ylpyridine-3-sulfonamide is CC(C)NS(=O)(=O)c1ccc(-c2c(C#N)c3ccc(OC(F)F)cc3n2C(C)C)nc1.
What is the InChIKey of 6-[3-cyano-6-(difluoromethoxy)-1-propan-2-ylindol-2-yl]-N-propan-2-ylpyridine-3-sulfonamide?
The InChIKey is XWLICJULIURUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N4O3S/c1-12(2)26-31(28,29)15-6-8-18(25-11-15)20-17(10-24)16-7-5-14(30-21(22)23)9-19(16)27(20)13(3)4/h5-9,11-13,21,26H,1-4H3.
What are the key properties of 6-[3-cyano-6-(difluoromethoxy)-1-propan-2-ylindol-2-yl]-N-propan-2-ylpyridine-3-sulfonamide?
6-[3-cyano-6-(difluoromethoxy)-1-propan-2-ylindol-2-yl]-N-propan-2-ylpyridine-3-sulfonamide has a molecular weight of 448.50 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-cyano-6-(difluoromethoxy)-1-propan-2-ylindol-2-yl]-N-propan-2-ylpyridine-3-sulfonamide is sourced from PubChem (CID 46916981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).