N-tert-butyl-6-(3-cyano-1-cyclopentyl-5-fluoro-6-methylindol-2-yl)pyridine-3-sulfonamide

C24H27FN4O2S — CID 66730589

IUPACN-tert-butyl-6-(3-cyano-1-cyclopentyl-5-fluoro-6-methylindol-2-yl)pyridine-3-sulfonamide
SMILESCc1cc2c(cc1F)c(C#N)c(-c1ccc(S(=O)(=O)NC(C)(C)C)cn1)n2C1CCCC1
InChIInChI=1S/C24H27FN4O2S/c1-15-11-22-18(12-20(15)25)19(13-26)23(29(22)16-7-5-6-8-16)21-10-9-17(14-27-21)32(30,31)28-24(2,3)4/h9-12,14,16,28H,5-8H2,1-4H3
InChIKeyYQJIOMUCPDTKMR-UHFFFAOYSA-N
MW454.57 g/mol
LogP5.21
Rot. Bonds4

About N-tert-butyl-6-(3-cyano-1-cyclopentyl-5-fluoro-6-methylindol-2-yl)pyridine-3-sulfonamide

N-tert-butyl-6-(3-cyano-1-cyclopentyl-5-fluoro-6-methylindol-2-yl)pyridine-3-sulfonamide (PubChem CID 66730589) has the molecular formula C24H27FN4O2S and a molecular weight of 454.57 g/mol. Its IUPAC name is N-tert-butyl-6-(3-cyano-1-cyclopentyl-5-fluoro-6-methylindol-2-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-tert-butyl-6-(3-cyano-1-cyclopentyl-5-fluoro-6-methylindol-2-yl)pyridine-3-sulfonamide
PubChem CID66730589
Molecular FormulaC24H27FN4O2S
Molecular Weight454.57 g/mol
Exact Mass454.18
IUPAC NameN-tert-butyl-6-(3-cyano-1-cyclopentyl-5-fluoro-6-methylindol-2-yl)pyridine-3-sulfonamide
SMILESCc1cc2c(cc1F)c(C#N)c(-c1ccc(S(=O)(=O)NC(C)(C)C)cn1)n2C1CCCC1
InChIInChI=1S/C24H27FN4O2S/c1-15-11-22-18(12-20(15)25)19(13-26)23(29(22)16-7-5-6-8-16)21-10-9-17(14-27-21)32(30,31)28-24(2,3)4/h9-12,14,16,28H,5-8H2,1-4H3
InChIKeyYQJIOMUCPDTKMR-UHFFFAOYSA-N
XLogP5.21
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.57
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-6-(3-cyano-1-cyclopentyl-5-fluoro-6-methylindol-2-yl)pyridine-3-sulfonamide?
The IUPAC name of N-tert-butyl-6-(3-cyano-1-cyclopentyl-5-fluoro-6-methylindol-2-yl)pyridine-3-sulfonamide (CID 66730589) is N-tert-butyl-6-(3-cyano-1-cyclopentyl-5-fluoro-6-methylindol-2-yl)pyridine-3-sulfonamide.
What is the SMILES notation for N-tert-butyl-6-(3-cyano-1-cyclopentyl-5-fluoro-6-methylindol-2-yl)pyridine-3-sulfonamide?
The canonical SMILES for N-tert-butyl-6-(3-cyano-1-cyclopentyl-5-fluoro-6-methylindol-2-yl)pyridine-3-sulfonamide is Cc1cc2c(cc1F)c(C#N)c(-c1ccc(S(=O)(=O)NC(C)(C)C)cn1)n2C1CCCC1.
What is the InChIKey of N-tert-butyl-6-(3-cyano-1-cyclopentyl-5-fluoro-6-methylindol-2-yl)pyridine-3-sulfonamide?
The InChIKey is YQJIOMUCPDTKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O2S/c1-15-11-22-18(12-20(15)25)19(13-26)23(29(22)16-7-5-6-8-16)21-10-9-17(14-27-21)32(30,31)28-24(2,3)4/h9-12,14,16,28H,5-8H2,1-4H3.
What are the key properties of N-tert-butyl-6-(3-cyano-1-cyclopentyl-5-fluoro-6-methylindol-2-yl)pyridine-3-sulfonamide?
N-tert-butyl-6-(3-cyano-1-cyclopentyl-5-fluoro-6-methylindol-2-yl)pyridine-3-sulfonamide has a molecular weight of 454.57 g/mol, XLogP of 5.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-6-(3-cyano-1-cyclopentyl-5-fluoro-6-methylindol-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 66730589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).