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

C25H29FN4O2S — CID 66731327

IUPACN-tert-butyl-6-(3-cyano-1-cyclohexyl-5-fluoro-6-methylindol-2-yl)pyridine-3-sulfonamide
SMILESCc1cc2c(cc1F)c(C#N)c(-c1ccc(S(=O)(=O)NC(C)(C)C)cn1)n2C1CCCCC1
InChIInChI=1S/C25H29FN4O2S/c1-16-12-23-19(13-21(16)26)20(14-27)24(30(23)17-8-6-5-7-9-17)22-11-10-18(15-28-22)33(31,32)29-25(2,3)4/h10-13,15,17,29H,5-9H2,1-4H3
InChIKeyGPWVNRXWTNREPC-UHFFFAOYSA-N
MW468.60 g/mol
LogP5.60
Rot. Bonds4

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

N-tert-butyl-6-(3-cyano-1-cyclohexyl-5-fluoro-6-methylindol-2-yl)pyridine-3-sulfonamide (PubChem CID 66731327) has the molecular formula C25H29FN4O2S and a molecular weight of 468.60 g/mol. Its IUPAC name is N-tert-butyl-6-(3-cyano-1-cyclohexyl-5-fluoro-6-methylindol-2-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-tert-butyl-6-(3-cyano-1-cyclohexyl-5-fluoro-6-methylindol-2-yl)pyridine-3-sulfonamide
PubChem CID66731327
Molecular FormulaC25H29FN4O2S
Molecular Weight468.60 g/mol
Exact Mass468.20
IUPAC NameN-tert-butyl-6-(3-cyano-1-cyclohexyl-5-fluoro-6-methylindol-2-yl)pyridine-3-sulfonamide
SMILESCc1cc2c(cc1F)c(C#N)c(-c1ccc(S(=O)(=O)NC(C)(C)C)cn1)n2C1CCCCC1
InChIInChI=1S/C25H29FN4O2S/c1-16-12-23-19(13-21(16)26)20(14-27)24(30(23)17-8-6-5-7-9-17)22-11-10-18(15-28-22)33(31,32)29-25(2,3)4/h10-13,15,17,29H,5-9H2,1-4H3
InChIKeyGPWVNRXWTNREPC-UHFFFAOYSA-N
XLogP5.60
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.60
LogP ≤ 55.60
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-cyclohexyl-5-fluoro-6-methylindol-2-yl)pyridine-3-sulfonamide?
The IUPAC name of N-tert-butyl-6-(3-cyano-1-cyclohexyl-5-fluoro-6-methylindol-2-yl)pyridine-3-sulfonamide (CID 66731327) is N-tert-butyl-6-(3-cyano-1-cyclohexyl-5-fluoro-6-methylindol-2-yl)pyridine-3-sulfonamide.
What is the SMILES notation for N-tert-butyl-6-(3-cyano-1-cyclohexyl-5-fluoro-6-methylindol-2-yl)pyridine-3-sulfonamide?
The canonical SMILES for N-tert-butyl-6-(3-cyano-1-cyclohexyl-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)n2C1CCCCC1.
What is the InChIKey of N-tert-butyl-6-(3-cyano-1-cyclohexyl-5-fluoro-6-methylindol-2-yl)pyridine-3-sulfonamide?
The InChIKey is GPWVNRXWTNREPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN4O2S/c1-16-12-23-19(13-21(16)26)20(14-27)24(30(23)17-8-6-5-7-9-17)22-11-10-18(15-28-22)33(31,32)29-25(2,3)4/h10-13,15,17,29H,5-9H2,1-4H3.
What are the key properties of N-tert-butyl-6-(3-cyano-1-cyclohexyl-5-fluoro-6-methylindol-2-yl)pyridine-3-sulfonamide?
N-tert-butyl-6-(3-cyano-1-cyclohexyl-5-fluoro-6-methylindol-2-yl)pyridine-3-sulfonamide has a molecular weight of 468.60 g/mol, XLogP of 5.60, 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-cyclohexyl-5-fluoro-6-methylindol-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 66731327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).