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

C24H26F2N4O3S — CID 46941058

IUPAC6-[3-cyano-1-cyclohexyl-6-(difluoromethoxy)indol-2-yl]-N-propan-2-ylpyridine-3-sulfonamide
SMILESCC(C)NS(=O)(=O)c1ccc(-c2c(C#N)c3ccc(OC(F)F)cc3n2C2CCCCC2)nc1
InChIInChI=1S/C24H26F2N4O3S/c1-15(2)29-34(31,32)18-9-11-21(28-14-18)23-20(13-27)19-10-8-17(33-24(25)26)12-22(19)30(23)16-6-4-3-5-7-16/h8-12,14-16,24,29H,3-7H2,1-2H3
InChIKeyIPZWUMLWJIRUON-UHFFFAOYSA-N
MW488.56 g/mol
LogP5.37
Rot. Bonds7

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

6-[3-cyano-1-cyclohexyl-6-(difluoromethoxy)indol-2-yl]-N-propan-2-ylpyridine-3-sulfonamide (PubChem CID 46941058) has the molecular formula C24H26F2N4O3S and a molecular weight of 488.56 g/mol. Its IUPAC name is 6-[3-cyano-1-cyclohexyl-6-(difluoromethoxy)indol-2-yl]-N-propan-2-ylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[3-cyano-1-cyclohexyl-6-(difluoromethoxy)indol-2-yl]-N-propan-2-ylpyridine-3-sulfonamide
PubChem CID46941058
Molecular FormulaC24H26F2N4O3S
Molecular Weight488.56 g/mol
Exact Mass488.17
IUPAC Name6-[3-cyano-1-cyclohexyl-6-(difluoromethoxy)indol-2-yl]-N-propan-2-ylpyridine-3-sulfonamide
SMILESCC(C)NS(=O)(=O)c1ccc(-c2c(C#N)c3ccc(OC(F)F)cc3n2C2CCCCC2)nc1
InChIInChI=1S/C24H26F2N4O3S/c1-15(2)29-34(31,32)18-9-11-21(28-14-18)23-20(13-27)19-10-8-17(33-24(25)26)12-22(19)30(23)16-6-4-3-5-7-16/h8-12,14-16,24,29H,3-7H2,1-2H3
InChIKeyIPZWUMLWJIRUON-UHFFFAOYSA-N
XLogP5.37
TPSA97.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.56
LogP ≤ 55.37
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-cyclohexyl-6-(difluoromethoxy)indol-2-yl]-N-propan-2-ylpyridine-3-sulfonamide?
The IUPAC name of 6-[3-cyano-1-cyclohexyl-6-(difluoromethoxy)indol-2-yl]-N-propan-2-ylpyridine-3-sulfonamide (CID 46941058) is 6-[3-cyano-1-cyclohexyl-6-(difluoromethoxy)indol-2-yl]-N-propan-2-ylpyridine-3-sulfonamide.
What is the SMILES notation for 6-[3-cyano-1-cyclohexyl-6-(difluoromethoxy)indol-2-yl]-N-propan-2-ylpyridine-3-sulfonamide?
The canonical SMILES for 6-[3-cyano-1-cyclohexyl-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)cc3n2C2CCCCC2)nc1.
What is the InChIKey of 6-[3-cyano-1-cyclohexyl-6-(difluoromethoxy)indol-2-yl]-N-propan-2-ylpyridine-3-sulfonamide?
The InChIKey is IPZWUMLWJIRUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N4O3S/c1-15(2)29-34(31,32)18-9-11-21(28-14-18)23-20(13-27)19-10-8-17(33-24(25)26)12-22(19)30(23)16-6-4-3-5-7-16/h8-12,14-16,24,29H,3-7H2,1-2H3.
What are the key properties of 6-[3-cyano-1-cyclohexyl-6-(difluoromethoxy)indol-2-yl]-N-propan-2-ylpyridine-3-sulfonamide?
6-[3-cyano-1-cyclohexyl-6-(difluoromethoxy)indol-2-yl]-N-propan-2-ylpyridine-3-sulfonamide has a molecular weight of 488.56 g/mol, XLogP of 5.37, 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-cyclohexyl-6-(difluoromethoxy)indol-2-yl]-N-propan-2-ylpyridine-3-sulfonamide is sourced from PubChem (CID 46941058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).