6-[3-cyano-1-cyclohexyl-6-(difluoromethoxy)indol-2-yl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide

C24H23F5N4O3S — CID 66730628

IUPAC6-[3-cyano-1-cyclohexyl-6-(difluoromethoxy)indol-2-yl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
SMILESC[C@@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3ccc(OC(F)F)cc3n2C2CCCCC2)nc1)C(F)(F)F
InChIInChI=1S/C24H23F5N4O3S/c1-14(24(27,28)29)32-37(34,35)17-8-10-20(31-13-17)22-19(12-30)18-9-7-16(36-23(25)26)11-21(18)33(22)15-5-3-2-4-6-15/h7-11,13-15,23,32H,2-6H2,1H3/t14-/m1/s1
InChIKeyJXXJSXKIZIVCGN-CQSZACIVSA-N
MW542.53 g/mol
LogP5.91
Rot. Bonds7

About 6-[3-cyano-1-cyclohexyl-6-(difluoromethoxy)indol-2-yl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide

6-[3-cyano-1-cyclohexyl-6-(difluoromethoxy)indol-2-yl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide (PubChem CID 66730628) has the molecular formula C24H23F5N4O3S and a molecular weight of 542.53 g/mol. Its IUPAC name is 6-[3-cyano-1-cyclohexyl-6-(difluoromethoxy)indol-2-yl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[3-cyano-1-cyclohexyl-6-(difluoromethoxy)indol-2-yl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
PubChem CID66730628
Molecular FormulaC24H23F5N4O3S
Molecular Weight542.53 g/mol
Exact Mass542.14
IUPAC Name6-[3-cyano-1-cyclohexyl-6-(difluoromethoxy)indol-2-yl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
SMILESC[C@@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3ccc(OC(F)F)cc3n2C2CCCCC2)nc1)C(F)(F)F
InChIInChI=1S/C24H23F5N4O3S/c1-14(24(27,28)29)32-37(34,35)17-8-10-20(31-13-17)22-19(12-30)18-9-7-16(36-23(25)26)11-21(18)33(22)15-5-3-2-4-6-15/h7-11,13-15,23,32H,2-6H2,1H3/t14-/m1/s1
InChIKeyJXXJSXKIZIVCGN-CQSZACIVSA-N
XLogP5.91
TPSA97.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.53
LogP ≤ 55.91
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-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?
The IUPAC name of 6-[3-cyano-1-cyclohexyl-6-(difluoromethoxy)indol-2-yl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide (CID 66730628) is 6-[3-cyano-1-cyclohexyl-6-(difluoromethoxy)indol-2-yl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-[3-cyano-1-cyclohexyl-6-(difluoromethoxy)indol-2-yl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?
The canonical SMILES for 6-[3-cyano-1-cyclohexyl-6-(difluoromethoxy)indol-2-yl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide is C[C@@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3ccc(OC(F)F)cc3n2C2CCCCC2)nc1)C(F)(F)F.
What is the InChIKey of 6-[3-cyano-1-cyclohexyl-6-(difluoromethoxy)indol-2-yl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?
The InChIKey is JXXJSXKIZIVCGN-CQSZACIVSA-N. The full InChI is InChI=1S/C24H23F5N4O3S/c1-14(24(27,28)29)32-37(34,35)17-8-10-20(31-13-17)22-19(12-30)18-9-7-16(36-23(25)26)11-21(18)33(22)15-5-3-2-4-6-15/h7-11,13-15,23,32H,2-6H2,1H3/t14-/m1/s1.
What are the key properties of 6-[3-cyano-1-cyclohexyl-6-(difluoromethoxy)indol-2-yl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?
6-[3-cyano-1-cyclohexyl-6-(difluoromethoxy)indol-2-yl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide has a molecular weight of 542.53 g/mol, XLogP of 5.91, 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-[(2R)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 66730628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).