6-(5-chloro-3-cyano-1-cyclobutylindol-2-yl)-N-propan-2-ylpyridine-3-sulfonamide

C21H21ClN4O2S — CID 46940601

IUPAC6-(5-chloro-3-cyano-1-cyclobutylindol-2-yl)-N-propan-2-ylpyridine-3-sulfonamide
SMILESCC(C)NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(Cl)ccc3n2C2CCC2)nc1
InChIInChI=1S/C21H21ClN4O2S/c1-13(2)25-29(27,28)16-7-8-19(24-12-16)21-18(11-23)17-10-14(22)6-9-20(17)26(21)15-4-3-5-15/h6-10,12-13,15,25H,3-5H2,1-2H3
InChIKeyKNLVJXUZAUGNBR-UHFFFAOYSA-N
MW428.95 g/mol
LogP4.64
Rot. Bonds5

About 6-(5-chloro-3-cyano-1-cyclobutylindol-2-yl)-N-propan-2-ylpyridine-3-sulfonamide

6-(5-chloro-3-cyano-1-cyclobutylindol-2-yl)-N-propan-2-ylpyridine-3-sulfonamide (PubChem CID 46940601) has the molecular formula C21H21ClN4O2S and a molecular weight of 428.95 g/mol. Its IUPAC name is 6-(5-chloro-3-cyano-1-cyclobutylindol-2-yl)-N-propan-2-ylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(5-chloro-3-cyano-1-cyclobutylindol-2-yl)-N-propan-2-ylpyridine-3-sulfonamide
PubChem CID46940601
Molecular FormulaC21H21ClN4O2S
Molecular Weight428.95 g/mol
Exact Mass428.11
IUPAC Name6-(5-chloro-3-cyano-1-cyclobutylindol-2-yl)-N-propan-2-ylpyridine-3-sulfonamide
SMILESCC(C)NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(Cl)ccc3n2C2CCC2)nc1
InChIInChI=1S/C21H21ClN4O2S/c1-13(2)25-29(27,28)16-7-8-19(24-12-16)21-18(11-23)17-10-14(22)6-9-20(17)26(21)15-4-3-5-15/h6-10,12-13,15,25H,3-5H2,1-2H3
InChIKeyKNLVJXUZAUGNBR-UHFFFAOYSA-N
XLogP4.64
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.95
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(5-chloro-3-cyano-1-cyclobutylindol-2-yl)-N-propan-2-ylpyridine-3-sulfonamide?
The IUPAC name of 6-(5-chloro-3-cyano-1-cyclobutylindol-2-yl)-N-propan-2-ylpyridine-3-sulfonamide (CID 46940601) is 6-(5-chloro-3-cyano-1-cyclobutylindol-2-yl)-N-propan-2-ylpyridine-3-sulfonamide.
What is the SMILES notation for 6-(5-chloro-3-cyano-1-cyclobutylindol-2-yl)-N-propan-2-ylpyridine-3-sulfonamide?
The canonical SMILES for 6-(5-chloro-3-cyano-1-cyclobutylindol-2-yl)-N-propan-2-ylpyridine-3-sulfonamide is CC(C)NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(Cl)ccc3n2C2CCC2)nc1.
What is the InChIKey of 6-(5-chloro-3-cyano-1-cyclobutylindol-2-yl)-N-propan-2-ylpyridine-3-sulfonamide?
The InChIKey is KNLVJXUZAUGNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O2S/c1-13(2)25-29(27,28)16-7-8-19(24-12-16)21-18(11-23)17-10-14(22)6-9-20(17)26(21)15-4-3-5-15/h6-10,12-13,15,25H,3-5H2,1-2H3.
What are the key properties of 6-(5-chloro-3-cyano-1-cyclobutylindol-2-yl)-N-propan-2-ylpyridine-3-sulfonamide?
6-(5-chloro-3-cyano-1-cyclobutylindol-2-yl)-N-propan-2-ylpyridine-3-sulfonamide has a molecular weight of 428.95 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chloro-3-cyano-1-cyclobutylindol-2-yl)-N-propan-2-ylpyridine-3-sulfonamide is sourced from PubChem (CID 46940601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).