6-(3-cyano-1-cyclobutyl-4-fluoro-6-methylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide

C22H20F4N4O2S — CID 66734273

IUPAC6-(3-cyano-1-cyclobutyl-4-fluoro-6-methylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
SMILESCc1cc(F)c2c(C#N)c(-c3ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn3)n(C3CCC3)c2c1
InChIInChI=1S/C22H20F4N4O2S/c1-12-8-17(23)20-16(10-27)21(30(19(20)9-12)14-4-3-5-14)18-7-6-15(11-28-18)33(31,32)29-13(2)22(24,25)26/h6-9,11,13-14,29H,3-5H2,1-2H3/t13-/m0/s1
InChIKeyWIQUBLZZSHRLCG-ZDUSSCGKSA-N
MW480.49 g/mol
LogP4.98
Rot. Bonds5

About 6-(3-cyano-1-cyclobutyl-4-fluoro-6-methylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide

6-(3-cyano-1-cyclobutyl-4-fluoro-6-methylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide (PubChem CID 66734273) has the molecular formula C22H20F4N4O2S and a molecular weight of 480.49 g/mol. Its IUPAC name is 6-(3-cyano-1-cyclobutyl-4-fluoro-6-methylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(3-cyano-1-cyclobutyl-4-fluoro-6-methylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
PubChem CID66734273
Molecular FormulaC22H20F4N4O2S
Molecular Weight480.49 g/mol
Exact Mass480.12
IUPAC Name6-(3-cyano-1-cyclobutyl-4-fluoro-6-methylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
SMILESCc1cc(F)c2c(C#N)c(-c3ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn3)n(C3CCC3)c2c1
InChIInChI=1S/C22H20F4N4O2S/c1-12-8-17(23)20-16(10-27)21(30(19(20)9-12)14-4-3-5-14)18-7-6-15(11-28-18)33(31,32)29-13(2)22(24,25)26/h6-9,11,13-14,29H,3-5H2,1-2H3/t13-/m0/s1
InChIKeyWIQUBLZZSHRLCG-ZDUSSCGKSA-N
XLogP4.98
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.49
LogP ≤ 54.98
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-cyclobutyl-4-fluoro-6-methylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?
The IUPAC name of 6-(3-cyano-1-cyclobutyl-4-fluoro-6-methylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide (CID 66734273) is 6-(3-cyano-1-cyclobutyl-4-fluoro-6-methylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-(3-cyano-1-cyclobutyl-4-fluoro-6-methylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?
The canonical SMILES for 6-(3-cyano-1-cyclobutyl-4-fluoro-6-methylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide is Cc1cc(F)c2c(C#N)c(-c3ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn3)n(C3CCC3)c2c1.
What is the InChIKey of 6-(3-cyano-1-cyclobutyl-4-fluoro-6-methylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?
The InChIKey is WIQUBLZZSHRLCG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C22H20F4N4O2S/c1-12-8-17(23)20-16(10-27)21(30(19(20)9-12)14-4-3-5-14)18-7-6-15(11-28-18)33(31,32)29-13(2)22(24,25)26/h6-9,11,13-14,29H,3-5H2,1-2H3/t13-/m0/s1.
What are the key properties of 6-(3-cyano-1-cyclobutyl-4-fluoro-6-methylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?
6-(3-cyano-1-cyclobutyl-4-fluoro-6-methylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide has a molecular weight of 480.49 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-cyano-1-cyclobutyl-4-fluoro-6-methylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 66734273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).