N-tert-butyl-6-(3-cyano-1-cyclobutyl-6-ethyl-5-fluoroindol-2-yl)pyridine-3-sulfonamide

C24H27FN4O2S — CID 66730940

IUPACN-tert-butyl-6-(3-cyano-1-cyclobutyl-6-ethyl-5-fluoroindol-2-yl)pyridine-3-sulfonamide
SMILESCCc1cc2c(cc1F)c(C#N)c(-c1ccc(S(=O)(=O)NC(C)(C)C)cn1)n2C1CCC1
InChIInChI=1S/C24H27FN4O2S/c1-5-15-11-22-18(12-20(15)25)19(13-26)23(29(22)16-7-6-8-16)21-10-9-17(14-27-21)32(30,31)28-24(2,3)4/h9-12,14,16,28H,5-8H2,1-4H3
InChIKeyRSNDGPBVHBDREE-UHFFFAOYSA-N
MW454.57 g/mol
LogP5.08
Rot. Bonds5

About N-tert-butyl-6-(3-cyano-1-cyclobutyl-6-ethyl-5-fluoroindol-2-yl)pyridine-3-sulfonamide

N-tert-butyl-6-(3-cyano-1-cyclobutyl-6-ethyl-5-fluoroindol-2-yl)pyridine-3-sulfonamide (PubChem CID 66730940) 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-cyclobutyl-6-ethyl-5-fluoroindol-2-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-tert-butyl-6-(3-cyano-1-cyclobutyl-6-ethyl-5-fluoroindol-2-yl)pyridine-3-sulfonamide
PubChem CID66730940
Molecular FormulaC24H27FN4O2S
Molecular Weight454.57 g/mol
Exact Mass454.18
IUPAC NameN-tert-butyl-6-(3-cyano-1-cyclobutyl-6-ethyl-5-fluoroindol-2-yl)pyridine-3-sulfonamide
SMILESCCc1cc2c(cc1F)c(C#N)c(-c1ccc(S(=O)(=O)NC(C)(C)C)cn1)n2C1CCC1
InChIInChI=1S/C24H27FN4O2S/c1-5-15-11-22-18(12-20(15)25)19(13-26)23(29(22)16-7-6-8-16)21-10-9-17(14-27-21)32(30,31)28-24(2,3)4/h9-12,14,16,28H,5-8H2,1-4H3
InChIKeyRSNDGPBVHBDREE-UHFFFAOYSA-N
XLogP5.08
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.57
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-tert-butyl-6-(3-cyano-1-cyclobutyl-6-ethyl-5-fluoroindol-2-yl)pyridine-3-sulfonamide with MolForge

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Related Compounds

(S)-6-(3-cyano-6-ethyl-5-fluoro-1-(pyrimidin-2-yl)-1H-indol-2-yl)-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide
CID 66731056
N-(3-(4-cyano-3-fluorophenyl)-1-isopropyl-1H-indol-6-yl)methanesulfonamide
CID 51346768
4-fluoro-N-(2-indol-1-ylethyl)benzenesulfonamide
CID 4625387
Substituted phenylsulfonyltryptamine, 11e
CID 23655290
N-[2-fluoro-5-(3-methylindol-1-yl)sulfonylphenyl]-1-methylpiperidin-4-amine
CID 71462621
1-(3-Fluorophenyl)sulfonyl-3-methyl-4-piperazin-1-ylindole
CID 168285508
1-(4-Fluoro-benzenesulfonyl)-3-(1-methyl-1,2,3,6-tetrahydro-pyridin-4-yl)-1H-indole
CID 9929294
1-(4-Fluorophenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]indole
CID 10091613
N-(3-cyano-1H-indol-7-yl)-5-methylpyridine-3-sulfonamide
CID 11312975
N-[3-(3-cyanoindol-1-yl)-1,1,1-trifluoropropan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 11633482
N-[3-(6-cyano-1H-indol-3-yl)-1,1,1-trifluoropropan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 11711766
N-[3-(4-cyanoindol-1-yl)-1,1,1-trifluoropropan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 11719039

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-6-(3-cyano-1-cyclobutyl-6-ethyl-5-fluoroindol-2-yl)pyridine-3-sulfonamide?
The IUPAC name of N-tert-butyl-6-(3-cyano-1-cyclobutyl-6-ethyl-5-fluoroindol-2-yl)pyridine-3-sulfonamide (CID 66730940) is N-tert-butyl-6-(3-cyano-1-cyclobutyl-6-ethyl-5-fluoroindol-2-yl)pyridine-3-sulfonamide.
What is the SMILES notation for N-tert-butyl-6-(3-cyano-1-cyclobutyl-6-ethyl-5-fluoroindol-2-yl)pyridine-3-sulfonamide?
The canonical SMILES for N-tert-butyl-6-(3-cyano-1-cyclobutyl-6-ethyl-5-fluoroindol-2-yl)pyridine-3-sulfonamide is CCc1cc2c(cc1F)c(C#N)c(-c1ccc(S(=O)(=O)NC(C)(C)C)cn1)n2C1CCC1.
What is the InChIKey of N-tert-butyl-6-(3-cyano-1-cyclobutyl-6-ethyl-5-fluoroindol-2-yl)pyridine-3-sulfonamide?
The InChIKey is RSNDGPBVHBDREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O2S/c1-5-15-11-22-18(12-20(15)25)19(13-26)23(29(22)16-7-6-8-16)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-cyclobutyl-6-ethyl-5-fluoroindol-2-yl)pyridine-3-sulfonamide?
N-tert-butyl-6-(3-cyano-1-cyclobutyl-6-ethyl-5-fluoroindol-2-yl)pyridine-3-sulfonamide has a molecular weight of 454.57 g/mol, XLogP of 5.08, 5 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-cyclobutyl-6-ethyl-5-fluoroindol-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 66730940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).