6-(3-cyano-1-cyclopentyl-5-fluoro-6-methylindol-2-yl)-N-[(2S)-1,1,1-trifluorobutan-2-yl]pyridine-3-sulfonamide

C24H24F4N4O2S — CID 66730688

IUPAC6-(3-cyano-1-cyclopentyl-5-fluoro-6-methylindol-2-yl)-N-[(2S)-1,1,1-trifluorobutan-2-yl]pyridine-3-sulfonamide
SMILESCC[C@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(F)c(C)cc3n2C2CCCC2)nc1)C(F)(F)F
InChIInChI=1S/C24H24F4N4O2S/c1-3-22(24(26,27)28)31-35(33,34)16-8-9-20(30-13-16)23-18(12-29)17-11-19(25)14(2)10-21(17)32(23)15-6-4-5-7-15/h8-11,13,15,22,31H,3-7H2,1-2H3/t22-/m0/s1
InChIKeyZISIBGURDVBHGX-QFIPXVFZSA-N
MW508.54 g/mol
LogP5.76
Rot. Bonds6

About 6-(3-cyano-1-cyclopentyl-5-fluoro-6-methylindol-2-yl)-N-[(2S)-1,1,1-trifluorobutan-2-yl]pyridine-3-sulfonamide

6-(3-cyano-1-cyclopentyl-5-fluoro-6-methylindol-2-yl)-N-[(2S)-1,1,1-trifluorobutan-2-yl]pyridine-3-sulfonamide (PubChem CID 66730688) has the molecular formula C24H24F4N4O2S and a molecular weight of 508.54 g/mol. Its IUPAC name is 6-(3-cyano-1-cyclopentyl-5-fluoro-6-methylindol-2-yl)-N-[(2S)-1,1,1-trifluorobutan-2-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(3-cyano-1-cyclopentyl-5-fluoro-6-methylindol-2-yl)-N-[(2S)-1,1,1-trifluorobutan-2-yl]pyridine-3-sulfonamide
PubChem CID66730688
Molecular FormulaC24H24F4N4O2S
Molecular Weight508.54 g/mol
Exact Mass508.16
IUPAC Name6-(3-cyano-1-cyclopentyl-5-fluoro-6-methylindol-2-yl)-N-[(2S)-1,1,1-trifluorobutan-2-yl]pyridine-3-sulfonamide
SMILESCC[C@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(F)c(C)cc3n2C2CCCC2)nc1)C(F)(F)F
InChIInChI=1S/C24H24F4N4O2S/c1-3-22(24(26,27)28)31-35(33,34)16-8-9-20(30-13-16)23-18(12-29)17-11-19(25)14(2)10-21(17)32(23)15-6-4-5-7-15/h8-11,13,15,22,31H,3-7H2,1-2H3/t22-/m0/s1
InChIKeyZISIBGURDVBHGX-QFIPXVFZSA-N
XLogP5.76
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.54
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3-cyano-1-cyclopentyl-5-fluoro-6-methylindol-2-yl)-N-[(2S)-1,1,1-trifluorobutan-2-yl]pyridine-3-sulfonamide?
The IUPAC name of 6-(3-cyano-1-cyclopentyl-5-fluoro-6-methylindol-2-yl)-N-[(2S)-1,1,1-trifluorobutan-2-yl]pyridine-3-sulfonamide (CID 66730688) is 6-(3-cyano-1-cyclopentyl-5-fluoro-6-methylindol-2-yl)-N-[(2S)-1,1,1-trifluorobutan-2-yl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-(3-cyano-1-cyclopentyl-5-fluoro-6-methylindol-2-yl)-N-[(2S)-1,1,1-trifluorobutan-2-yl]pyridine-3-sulfonamide?
The canonical SMILES for 6-(3-cyano-1-cyclopentyl-5-fluoro-6-methylindol-2-yl)-N-[(2S)-1,1,1-trifluorobutan-2-yl]pyridine-3-sulfonamide is CC[C@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(F)c(C)cc3n2C2CCCC2)nc1)C(F)(F)F.
What is the InChIKey of 6-(3-cyano-1-cyclopentyl-5-fluoro-6-methylindol-2-yl)-N-[(2S)-1,1,1-trifluorobutan-2-yl]pyridine-3-sulfonamide?
The InChIKey is ZISIBGURDVBHGX-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H24F4N4O2S/c1-3-22(24(26,27)28)31-35(33,34)16-8-9-20(30-13-16)23-18(12-29)17-11-19(25)14(2)10-21(17)32(23)15-6-4-5-7-15/h8-11,13,15,22,31H,3-7H2,1-2H3/t22-/m0/s1.
What are the key properties of 6-(3-cyano-1-cyclopentyl-5-fluoro-6-methylindol-2-yl)-N-[(2S)-1,1,1-trifluorobutan-2-yl]pyridine-3-sulfonamide?
6-(3-cyano-1-cyclopentyl-5-fluoro-6-methylindol-2-yl)-N-[(2S)-1,1,1-trifluorobutan-2-yl]pyridine-3-sulfonamide has a molecular weight of 508.54 g/mol, XLogP of 5.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-cyano-1-cyclopentyl-5-fluoro-6-methylindol-2-yl)-N-[(2S)-1,1,1-trifluorobutan-2-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 66730688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).