N-[3-(6-cyano-3-pyridinyl)-1-pentan-3-ylindol-6-yl]methanesulfonamide

C20H22N4O2S — CID 67101128

IUPACN-[3-(6-cyano-3-pyridinyl)-1-pentan-3-ylindol-6-yl]methanesulfonamide
SMILESCCC(CC)n1cc(-c2ccc(C#N)nc2)c2ccc(NS(C)(=O)=O)cc21
InChIInChI=1S/C20H22N4O2S/c1-4-17(5-2)24-13-19(14-6-7-16(11-21)22-12-14)18-9-8-15(10-20(18)24)23-27(3,25)26/h6-10,12-13,17,23H,4-5H2,1-3H3
InChIKeyVKVBCJUACOTXRC-UHFFFAOYSA-N
MW382.49 g/mol
LogP4.31
Rot. Bonds6

About N-[3-(6-cyano-3-pyridinyl)-1-pentan-3-ylindol-6-yl]methanesulfonamide

N-[3-(6-cyano-3-pyridinyl)-1-pentan-3-ylindol-6-yl]methanesulfonamide (PubChem CID 67101128) has the molecular formula C20H22N4O2S and a molecular weight of 382.49 g/mol. Its IUPAC name is N-[3-(6-cyano-3-pyridinyl)-1-pentan-3-ylindol-6-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(6-cyano-3-pyridinyl)-1-pentan-3-ylindol-6-yl]methanesulfonamide
PubChem CID67101128
Molecular FormulaC20H22N4O2S
Molecular Weight382.49 g/mol
Exact Mass382.15
IUPAC NameN-[3-(6-cyano-3-pyridinyl)-1-pentan-3-ylindol-6-yl]methanesulfonamide
SMILESCCC(CC)n1cc(-c2ccc(C#N)nc2)c2ccc(NS(C)(=O)=O)cc21
InChIInChI=1S/C20H22N4O2S/c1-4-17(5-2)24-13-19(14-6-7-16(11-21)22-12-14)18-9-8-15(10-20(18)24)23-27(3,25)26/h6-10,12-13,17,23H,4-5H2,1-3H3
InChIKeyVKVBCJUACOTXRC-UHFFFAOYSA-N
XLogP4.31
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(6-cyano-3-pyridinyl)-1-pentan-3-ylindol-6-yl]methanesulfonamide?
The IUPAC name of N-[3-(6-cyano-3-pyridinyl)-1-pentan-3-ylindol-6-yl]methanesulfonamide (CID 67101128) is N-[3-(6-cyano-3-pyridinyl)-1-pentan-3-ylindol-6-yl]methanesulfonamide.
What is the SMILES notation for N-[3-(6-cyano-3-pyridinyl)-1-pentan-3-ylindol-6-yl]methanesulfonamide?
The canonical SMILES for N-[3-(6-cyano-3-pyridinyl)-1-pentan-3-ylindol-6-yl]methanesulfonamide is CCC(CC)n1cc(-c2ccc(C#N)nc2)c2ccc(NS(C)(=O)=O)cc21.
What is the InChIKey of N-[3-(6-cyano-3-pyridinyl)-1-pentan-3-ylindol-6-yl]methanesulfonamide?
The InChIKey is VKVBCJUACOTXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2S/c1-4-17(5-2)24-13-19(14-6-7-16(11-21)22-12-14)18-9-8-15(10-20(18)24)23-27(3,25)26/h6-10,12-13,17,23H,4-5H2,1-3H3.
What are the key properties of N-[3-(6-cyano-3-pyridinyl)-1-pentan-3-ylindol-6-yl]methanesulfonamide?
N-[3-(6-cyano-3-pyridinyl)-1-pentan-3-ylindol-6-yl]methanesulfonamide has a molecular weight of 382.49 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-cyano-3-pyridinyl)-1-pentan-3-ylindol-6-yl]methanesulfonamide is sourced from PubChem (CID 67101128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).