6-(3-cyano-6-cyclopropyl-1-propan-2-ylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide

C23H24F2N4O2S — CID 46940962

IUPAC6-(3-cyano-6-cyclopropyl-1-propan-2-ylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide
SMILESCC(C)n1c(-c2ccc(S(=O)(=O)NC(CF)CF)cn2)c(C#N)c2ccc(C3CC3)cc21
InChIInChI=1S/C23H24F2N4O2S/c1-14(2)29-22-9-16(15-3-4-15)5-7-19(22)20(12-26)23(29)21-8-6-18(13-27-21)32(30,31)28-17(10-24)11-25/h5-9,13-15,17,28H,3-4,10-11H2,1-2H3
InChIKeyUYWUYAJGCZLRKH-UHFFFAOYSA-N
MW458.53 g/mol
LogP4.62
Rot. Bonds8

About 6-(3-cyano-6-cyclopropyl-1-propan-2-ylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide

6-(3-cyano-6-cyclopropyl-1-propan-2-ylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide (PubChem CID 46940962) has the molecular formula C23H24F2N4O2S and a molecular weight of 458.53 g/mol. Its IUPAC name is 6-(3-cyano-6-cyclopropyl-1-propan-2-ylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(3-cyano-6-cyclopropyl-1-propan-2-ylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide
PubChem CID46940962
Molecular FormulaC23H24F2N4O2S
Molecular Weight458.53 g/mol
Exact Mass458.16
IUPAC Name6-(3-cyano-6-cyclopropyl-1-propan-2-ylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide
SMILESCC(C)n1c(-c2ccc(S(=O)(=O)NC(CF)CF)cn2)c(C#N)c2ccc(C3CC3)cc21
InChIInChI=1S/C23H24F2N4O2S/c1-14(2)29-22-9-16(15-3-4-15)5-7-19(22)20(12-26)23(29)21-8-6-18(13-27-21)32(30,31)28-17(10-24)11-25/h5-9,13-15,17,28H,3-4,10-11H2,1-2H3
InChIKeyUYWUYAJGCZLRKH-UHFFFAOYSA-N
XLogP4.62
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.53
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3-cyano-6-cyclopropyl-1-propan-2-ylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide?
The IUPAC name of 6-(3-cyano-6-cyclopropyl-1-propan-2-ylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide (CID 46940962) is 6-(3-cyano-6-cyclopropyl-1-propan-2-ylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-(3-cyano-6-cyclopropyl-1-propan-2-ylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide?
The canonical SMILES for 6-(3-cyano-6-cyclopropyl-1-propan-2-ylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide is CC(C)n1c(-c2ccc(S(=O)(=O)NC(CF)CF)cn2)c(C#N)c2ccc(C3CC3)cc21.
What is the InChIKey of 6-(3-cyano-6-cyclopropyl-1-propan-2-ylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide?
The InChIKey is UYWUYAJGCZLRKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N4O2S/c1-14(2)29-22-9-16(15-3-4-15)5-7-19(22)20(12-26)23(29)21-8-6-18(13-27-21)32(30,31)28-17(10-24)11-25/h5-9,13-15,17,28H,3-4,10-11H2,1-2H3.
What are the key properties of 6-(3-cyano-6-cyclopropyl-1-propan-2-ylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide?
6-(3-cyano-6-cyclopropyl-1-propan-2-ylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide has a molecular weight of 458.53 g/mol, XLogP of 4.62, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-cyano-6-cyclopropyl-1-propan-2-ylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 46940962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).