6-(5-chloro-3-cyano-1-cyclobutylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide

C21H19ClF2N4O2S — CID 46937740

IUPAC6-(5-chloro-3-cyano-1-cyclobutylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide
SMILESN#Cc1c(-c2ccc(S(=O)(=O)NC(CF)CF)cn2)n(C2CCC2)c2ccc(Cl)cc12
InChIInChI=1S/C21H19ClF2N4O2S/c22-13-4-7-20-17(8-13)18(11-25)21(28(20)15-2-1-3-15)19-6-5-16(12-26-19)31(29,30)27-14(9-23)10-24/h4-8,12,14-15,27H,1-3,9-10H2
InChIKeyVYHCYZLDNGZLML-UHFFFAOYSA-N
MW464.93 g/mol
LogP4.54
Rot. Bonds7

About 6-(5-chloro-3-cyano-1-cyclobutylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide

6-(5-chloro-3-cyano-1-cyclobutylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide (PubChem CID 46937740) has the molecular formula C21H19ClF2N4O2S and a molecular weight of 464.93 g/mol. Its IUPAC name is 6-(5-chloro-3-cyano-1-cyclobutylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(5-chloro-3-cyano-1-cyclobutylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide
PubChem CID46937740
Molecular FormulaC21H19ClF2N4O2S
Molecular Weight464.93 g/mol
Exact Mass464.09
IUPAC Name6-(5-chloro-3-cyano-1-cyclobutylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide
SMILESN#Cc1c(-c2ccc(S(=O)(=O)NC(CF)CF)cn2)n(C2CCC2)c2ccc(Cl)cc12
InChIInChI=1S/C21H19ClF2N4O2S/c22-13-4-7-20-17(8-13)18(11-25)21(28(20)15-2-1-3-15)19-6-5-16(12-26-19)31(29,30)27-14(9-23)10-24/h4-8,12,14-15,27H,1-3,9-10H2
InChIKeyVYHCYZLDNGZLML-UHFFFAOYSA-N
XLogP4.54
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.93
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(5-chloro-3-cyano-1-cyclobutylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide?
The IUPAC name of 6-(5-chloro-3-cyano-1-cyclobutylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide (CID 46937740) is 6-(5-chloro-3-cyano-1-cyclobutylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-(5-chloro-3-cyano-1-cyclobutylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide?
The canonical SMILES for 6-(5-chloro-3-cyano-1-cyclobutylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide is N#Cc1c(-c2ccc(S(=O)(=O)NC(CF)CF)cn2)n(C2CCC2)c2ccc(Cl)cc12.
What is the InChIKey of 6-(5-chloro-3-cyano-1-cyclobutylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide?
The InChIKey is VYHCYZLDNGZLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClF2N4O2S/c22-13-4-7-20-17(8-13)18(11-25)21(28(20)15-2-1-3-15)19-6-5-16(12-26-19)31(29,30)27-14(9-23)10-24/h4-8,12,14-15,27H,1-3,9-10H2.
What are the key properties of 6-(5-chloro-3-cyano-1-cyclobutylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide?
6-(5-chloro-3-cyano-1-cyclobutylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide has a molecular weight of 464.93 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chloro-3-cyano-1-cyclobutylindol-2-yl)-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 46937740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).