N-tert-butyl-6-(3-cyano-6-ethyl-5-fluoro-1-pyridin-2-ylindol-2-yl)pyridine-3-sulfonamide

C25H24FN5O2S — CID 66731353

IUPACN-tert-butyl-6-(3-cyano-6-ethyl-5-fluoro-1-pyridin-2-ylindol-2-yl)pyridine-3-sulfonamide
SMILESCCc1cc2c(cc1F)c(C#N)c(-c1ccc(S(=O)(=O)NC(C)(C)C)cn1)n2-c1ccccn1
InChIInChI=1S/C25H24FN5O2S/c1-5-16-12-22-18(13-20(16)26)19(14-27)24(31(22)23-8-6-7-11-28-23)21-10-9-17(15-29-21)34(32,33)30-25(2,3)4/h6-13,15,30H,5H2,1-4H3
InChIKeyQWOFJMNTPKAQDJ-UHFFFAOYSA-N
MW477.57 g/mol
LogP4.74
Rot. Bonds5

About N-tert-butyl-6-(3-cyano-6-ethyl-5-fluoro-1-pyridin-2-ylindol-2-yl)pyridine-3-sulfonamide

N-tert-butyl-6-(3-cyano-6-ethyl-5-fluoro-1-pyridin-2-ylindol-2-yl)pyridine-3-sulfonamide (PubChem CID 66731353) has the molecular formula C25H24FN5O2S and a molecular weight of 477.57 g/mol. Its IUPAC name is N-tert-butyl-6-(3-cyano-6-ethyl-5-fluoro-1-pyridin-2-ylindol-2-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-tert-butyl-6-(3-cyano-6-ethyl-5-fluoro-1-pyridin-2-ylindol-2-yl)pyridine-3-sulfonamide
PubChem CID66731353
Molecular FormulaC25H24FN5O2S
Molecular Weight477.57 g/mol
Exact Mass477.16
IUPAC NameN-tert-butyl-6-(3-cyano-6-ethyl-5-fluoro-1-pyridin-2-ylindol-2-yl)pyridine-3-sulfonamide
SMILESCCc1cc2c(cc1F)c(C#N)c(-c1ccc(S(=O)(=O)NC(C)(C)C)cn1)n2-c1ccccn1
InChIInChI=1S/C25H24FN5O2S/c1-5-16-12-22-18(13-20(16)26)19(14-27)24(31(22)23-8-6-7-11-28-23)21-10-9-17(15-29-21)34(32,33)30-25(2,3)4/h6-13,15,30H,5H2,1-4H3
InChIKeyQWOFJMNTPKAQDJ-UHFFFAOYSA-N
XLogP4.74
TPSA100.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.57
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-6-(3-cyano-6-ethyl-5-fluoro-1-pyridin-2-ylindol-2-yl)pyridine-3-sulfonamide?
The IUPAC name of N-tert-butyl-6-(3-cyano-6-ethyl-5-fluoro-1-pyridin-2-ylindol-2-yl)pyridine-3-sulfonamide (CID 66731353) is N-tert-butyl-6-(3-cyano-6-ethyl-5-fluoro-1-pyridin-2-ylindol-2-yl)pyridine-3-sulfonamide.
What is the SMILES notation for N-tert-butyl-6-(3-cyano-6-ethyl-5-fluoro-1-pyridin-2-ylindol-2-yl)pyridine-3-sulfonamide?
The canonical SMILES for N-tert-butyl-6-(3-cyano-6-ethyl-5-fluoro-1-pyridin-2-ylindol-2-yl)pyridine-3-sulfonamide is CCc1cc2c(cc1F)c(C#N)c(-c1ccc(S(=O)(=O)NC(C)(C)C)cn1)n2-c1ccccn1.
What is the InChIKey of N-tert-butyl-6-(3-cyano-6-ethyl-5-fluoro-1-pyridin-2-ylindol-2-yl)pyridine-3-sulfonamide?
The InChIKey is QWOFJMNTPKAQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5O2S/c1-5-16-12-22-18(13-20(16)26)19(14-27)24(31(22)23-8-6-7-11-28-23)21-10-9-17(15-29-21)34(32,33)30-25(2,3)4/h6-13,15,30H,5H2,1-4H3.
What are the key properties of N-tert-butyl-6-(3-cyano-6-ethyl-5-fluoro-1-pyridin-2-ylindol-2-yl)pyridine-3-sulfonamide?
N-tert-butyl-6-(3-cyano-6-ethyl-5-fluoro-1-pyridin-2-ylindol-2-yl)pyridine-3-sulfonamide has a molecular weight of 477.57 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-6-(3-cyano-6-ethyl-5-fluoro-1-pyridin-2-ylindol-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 66731353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).