6-(3-cyano-1-cyclobutyl-6-cyclopropylindol-2-yl)-N-propan-2-ylpyridine-3-sulfonamide

C24H26N4O2S — CID 46937631

IUPAC6-(3-cyano-1-cyclobutyl-6-cyclopropylindol-2-yl)-N-propan-2-ylpyridine-3-sulfonamide
SMILESCC(C)NS(=O)(=O)c1ccc(-c2c(C#N)c3ccc(C4CC4)cc3n2C2CCC2)nc1
InChIInChI=1S/C24H26N4O2S/c1-15(2)27-31(29,30)19-9-11-22(26-14-19)24-21(13-25)20-10-8-17(16-6-7-16)12-23(20)28(24)18-4-3-5-18/h8-12,14-16,18,27H,3-7H2,1-2H3
InChIKeyLOAUPGZZYOIXPD-UHFFFAOYSA-N
MW434.57 g/mol
LogP4.86
Rot. Bonds6

About 6-(3-cyano-1-cyclobutyl-6-cyclopropylindol-2-yl)-N-propan-2-ylpyridine-3-sulfonamide

6-(3-cyano-1-cyclobutyl-6-cyclopropylindol-2-yl)-N-propan-2-ylpyridine-3-sulfonamide (PubChem CID 46937631) has the molecular formula C24H26N4O2S and a molecular weight of 434.57 g/mol. Its IUPAC name is 6-(3-cyano-1-cyclobutyl-6-cyclopropylindol-2-yl)-N-propan-2-ylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(3-cyano-1-cyclobutyl-6-cyclopropylindol-2-yl)-N-propan-2-ylpyridine-3-sulfonamide
PubChem CID46937631
Molecular FormulaC24H26N4O2S
Molecular Weight434.57 g/mol
Exact Mass434.18
IUPAC Name6-(3-cyano-1-cyclobutyl-6-cyclopropylindol-2-yl)-N-propan-2-ylpyridine-3-sulfonamide
SMILESCC(C)NS(=O)(=O)c1ccc(-c2c(C#N)c3ccc(C4CC4)cc3n2C2CCC2)nc1
InChIInChI=1S/C24H26N4O2S/c1-15(2)27-31(29,30)19-9-11-22(26-14-19)24-21(13-25)20-10-8-17(16-6-7-16)12-23(20)28(24)18-4-3-5-18/h8-12,14-16,18,27H,3-7H2,1-2H3
InChIKeyLOAUPGZZYOIXPD-UHFFFAOYSA-N
XLogP4.86
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.57
LogP ≤ 54.86
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-propan-2-ylpyridine-3-sulfonamide?
The IUPAC name of 6-(3-cyano-1-cyclobutyl-6-cyclopropylindol-2-yl)-N-propan-2-ylpyridine-3-sulfonamide (CID 46937631) is 6-(3-cyano-1-cyclobutyl-6-cyclopropylindol-2-yl)-N-propan-2-ylpyridine-3-sulfonamide.
What is the SMILES notation for 6-(3-cyano-1-cyclobutyl-6-cyclopropylindol-2-yl)-N-propan-2-ylpyridine-3-sulfonamide?
The canonical SMILES for 6-(3-cyano-1-cyclobutyl-6-cyclopropylindol-2-yl)-N-propan-2-ylpyridine-3-sulfonamide is CC(C)NS(=O)(=O)c1ccc(-c2c(C#N)c3ccc(C4CC4)cc3n2C2CCC2)nc1.
What is the InChIKey of 6-(3-cyano-1-cyclobutyl-6-cyclopropylindol-2-yl)-N-propan-2-ylpyridine-3-sulfonamide?
The InChIKey is LOAUPGZZYOIXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2S/c1-15(2)27-31(29,30)19-9-11-22(26-14-19)24-21(13-25)20-10-8-17(16-6-7-16)12-23(20)28(24)18-4-3-5-18/h8-12,14-16,18,27H,3-7H2,1-2H3.
What are the key properties of 6-(3-cyano-1-cyclobutyl-6-cyclopropylindol-2-yl)-N-propan-2-ylpyridine-3-sulfonamide?
6-(3-cyano-1-cyclobutyl-6-cyclopropylindol-2-yl)-N-propan-2-ylpyridine-3-sulfonamide has a molecular weight of 434.57 g/mol, XLogP of 4.86, 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-propan-2-ylpyridine-3-sulfonamide is sourced from PubChem (CID 46937631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).