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

C23H26N4O3S — CID 66730968

IUPACN-tert-butyl-6-(3-cyano-1-cyclobutyl-5-hydroxy-6-methylindol-2-yl)pyridine-3-sulfonamide
SMILESCc1cc2c(cc1O)c(C#N)c(-c1ccc(S(=O)(=O)NC(C)(C)C)cn1)n2C1CCC1
InChIInChI=1S/C23H26N4O3S/c1-14-10-20-17(11-21(14)28)18(12-24)22(27(20)15-6-5-7-15)19-9-8-16(13-25-19)31(29,30)26-23(2,3)4/h8-11,13,15,26,28H,5-7H2,1-4H3
InChIKeyYVACPKATUOJWSH-UHFFFAOYSA-N
MW438.55 g/mol
LogP4.39
Rot. Bonds4

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

N-tert-butyl-6-(3-cyano-1-cyclobutyl-5-hydroxy-6-methylindol-2-yl)pyridine-3-sulfonamide (PubChem CID 66730968) has the molecular formula C23H26N4O3S and a molecular weight of 438.55 g/mol. Its IUPAC name is N-tert-butyl-6-(3-cyano-1-cyclobutyl-5-hydroxy-6-methylindol-2-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-tert-butyl-6-(3-cyano-1-cyclobutyl-5-hydroxy-6-methylindol-2-yl)pyridine-3-sulfonamide
PubChem CID66730968
Molecular FormulaC23H26N4O3S
Molecular Weight438.55 g/mol
Exact Mass438.17
IUPAC NameN-tert-butyl-6-(3-cyano-1-cyclobutyl-5-hydroxy-6-methylindol-2-yl)pyridine-3-sulfonamide
SMILESCc1cc2c(cc1O)c(C#N)c(-c1ccc(S(=O)(=O)NC(C)(C)C)cn1)n2C1CCC1
InChIInChI=1S/C23H26N4O3S/c1-14-10-20-17(11-21(14)28)18(12-24)22(27(20)15-6-5-7-15)19-9-8-16(13-25-19)31(29,30)26-23(2,3)4/h8-11,13,15,26,28H,5-7H2,1-4H3
InChIKeyYVACPKATUOJWSH-UHFFFAOYSA-N
XLogP4.39
TPSA108.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-6-(3-cyano-1-cyclobutyl-5-hydroxy-6-methylindol-2-yl)pyridine-3-sulfonamide?
The IUPAC name of N-tert-butyl-6-(3-cyano-1-cyclobutyl-5-hydroxy-6-methylindol-2-yl)pyridine-3-sulfonamide (CID 66730968) is N-tert-butyl-6-(3-cyano-1-cyclobutyl-5-hydroxy-6-methylindol-2-yl)pyridine-3-sulfonamide.
What is the SMILES notation for N-tert-butyl-6-(3-cyano-1-cyclobutyl-5-hydroxy-6-methylindol-2-yl)pyridine-3-sulfonamide?
The canonical SMILES for N-tert-butyl-6-(3-cyano-1-cyclobutyl-5-hydroxy-6-methylindol-2-yl)pyridine-3-sulfonamide is Cc1cc2c(cc1O)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-5-hydroxy-6-methylindol-2-yl)pyridine-3-sulfonamide?
The InChIKey is YVACPKATUOJWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3S/c1-14-10-20-17(11-21(14)28)18(12-24)22(27(20)15-6-5-7-15)19-9-8-16(13-25-19)31(29,30)26-23(2,3)4/h8-11,13,15,26,28H,5-7H2,1-4H3.
What are the key properties of N-tert-butyl-6-(3-cyano-1-cyclobutyl-5-hydroxy-6-methylindol-2-yl)pyridine-3-sulfonamide?
N-tert-butyl-6-(3-cyano-1-cyclobutyl-5-hydroxy-6-methylindol-2-yl)pyridine-3-sulfonamide has a molecular weight of 438.55 g/mol, XLogP of 4.39, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-6-(3-cyano-1-cyclobutyl-5-hydroxy-6-methylindol-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 66730968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).