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

C24H23F3N4O2S — CID 66730741

IUPAC6-(3-cyano-1-cyclobutyl-6-cyclopropylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
SMILESC[C@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3ccc(C4CC4)cc3n2C2CCC2)nc1)C(F)(F)F
InChIInChI=1S/C24H23F3N4O2S/c1-14(24(25,26)27)30-34(32,33)18-8-10-21(29-13-18)23-20(12-28)19-9-7-16(15-5-6-15)11-22(19)31(23)17-3-2-4-17/h7-11,13-15,17,30H,2-6H2,1H3/t14-/m0/s1
InChIKeyHNIAFCCLWJVBGS-AWEZNQCLSA-N
MW488.54 g/mol
LogP5.41
Rot. Bonds6

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

6-(3-cyano-1-cyclobutyl-6-cyclopropylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide (PubChem CID 66730741) has the molecular formula C24H23F3N4O2S and a molecular weight of 488.54 g/mol. Its IUPAC name is 6-(3-cyano-1-cyclobutyl-6-cyclopropylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(3-cyano-1-cyclobutyl-6-cyclopropylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
PubChem CID66730741
Molecular FormulaC24H23F3N4O2S
Molecular Weight488.54 g/mol
Exact Mass488.15
IUPAC Name6-(3-cyano-1-cyclobutyl-6-cyclopropylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
SMILESC[C@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3ccc(C4CC4)cc3n2C2CCC2)nc1)C(F)(F)F
InChIInChI=1S/C24H23F3N4O2S/c1-14(24(25,26)27)30-34(32,33)18-8-10-21(29-13-18)23-20(12-28)19-9-7-16(15-5-6-15)11-22(19)31(23)17-3-2-4-17/h7-11,13-15,17,30H,2-6H2,1H3/t14-/m0/s1
InChIKeyHNIAFCCLWJVBGS-AWEZNQCLSA-N
XLogP5.41
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.54
LogP ≤ 55.41
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-6-cyclopropylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?
The IUPAC name of 6-(3-cyano-1-cyclobutyl-6-cyclopropylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide (CID 66730741) is 6-(3-cyano-1-cyclobutyl-6-cyclopropylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-(3-cyano-1-cyclobutyl-6-cyclopropylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?
The canonical SMILES for 6-(3-cyano-1-cyclobutyl-6-cyclopropylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide is C[C@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3ccc(C4CC4)cc3n2C2CCC2)nc1)C(F)(F)F.
What is the InChIKey of 6-(3-cyano-1-cyclobutyl-6-cyclopropylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?
The InChIKey is HNIAFCCLWJVBGS-AWEZNQCLSA-N. The full InChI is InChI=1S/C24H23F3N4O2S/c1-14(24(25,26)27)30-34(32,33)18-8-10-21(29-13-18)23-20(12-28)19-9-7-16(15-5-6-15)11-22(19)31(23)17-3-2-4-17/h7-11,13-15,17,30H,2-6H2,1H3/t14-/m0/s1.
What are the key properties of 6-(3-cyano-1-cyclobutyl-6-cyclopropylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?
6-(3-cyano-1-cyclobutyl-6-cyclopropylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide has a molecular weight of 488.54 g/mol, XLogP of 5.41, 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-cyclobutyl-6-cyclopropylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 66730741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).