N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-4-ethylbenzenesulfonamide

C20H24N4O2S — CID 121108210

IUPACN-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-4-ethylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NCC2CCN(c3ncccc3C#N)CC2)cc1
InChIInChI=1S/C20H24N4O2S/c1-2-16-5-7-19(8-6-16)27(25,26)23-15-17-9-12-24(13-10-17)20-18(14-21)4-3-11-22-20/h3-8,11,17,23H,2,9-10,12-13,15H2,1H3
InChIKeyHPHFTYHGELBUHU-UHFFFAOYSA-N
MW384.51 g/mol
LogP2.71
Rot. Bonds6

About N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-4-ethylbenzenesulfonamide

N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-4-ethylbenzenesulfonamide (PubChem CID 121108210) has the molecular formula C20H24N4O2S and a molecular weight of 384.51 g/mol. Its IUPAC name is N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-4-ethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-4-ethylbenzenesulfonamide
PubChem CID121108210
Molecular FormulaC20H24N4O2S
Molecular Weight384.51 g/mol
Exact Mass384.16
IUPAC NameN-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-4-ethylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NCC2CCN(c3ncccc3C#N)CC2)cc1
InChIInChI=1S/C20H24N4O2S/c1-2-16-5-7-19(8-6-16)27(25,26)23-15-17-9-12-24(13-10-17)20-18(14-21)4-3-11-22-20/h3-8,11,17,23H,2,9-10,12-13,15H2,1H3
InChIKeyHPHFTYHGELBUHU-UHFFFAOYSA-N
XLogP2.71
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-4-ethylbenzenesulfonamide?
The IUPAC name of N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-4-ethylbenzenesulfonamide (CID 121108210) is N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-4-ethylbenzenesulfonamide.
What is the SMILES notation for N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-4-ethylbenzenesulfonamide?
The canonical SMILES for N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-4-ethylbenzenesulfonamide is CCc1ccc(S(=O)(=O)NCC2CCN(c3ncccc3C#N)CC2)cc1.
What is the InChIKey of N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-4-ethylbenzenesulfonamide?
The InChIKey is HPHFTYHGELBUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2S/c1-2-16-5-7-19(8-6-16)27(25,26)23-15-17-9-12-24(13-10-17)20-18(14-21)4-3-11-22-20/h3-8,11,17,23H,2,9-10,12-13,15H2,1H3.
What are the key properties of N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-4-ethylbenzenesulfonamide?
N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-4-ethylbenzenesulfonamide has a molecular weight of 384.51 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-4-ethylbenzenesulfonamide is sourced from PubChem (CID 121108210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).