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

C19H22N4O3S — CID 72716897

IUPACN-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)NCC1CCN(c2ncccc2C#N)CC1
InChIInChI=1S/C19H22N4O3S/c1-26-17-6-2-3-7-18(17)27(24,25)22-14-15-8-11-23(12-9-15)19-16(13-20)5-4-10-21-19/h2-7,10,15,22H,8-9,11-12,14H2,1H3
InChIKeyHXMATLQQDZBOOG-UHFFFAOYSA-N
MW386.48 g/mol
LogP2.16
Rot. Bonds6

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

N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-2-methoxybenzenesulfonamide (PubChem CID 72716897) has the molecular formula C19H22N4O3S and a molecular weight of 386.48 g/mol. Its IUPAC name is N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-2-methoxybenzenesulfonamide
PubChem CID72716897
Molecular FormulaC19H22N4O3S
Molecular Weight386.48 g/mol
Exact Mass386.14
IUPAC NameN-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)NCC1CCN(c2ncccc2C#N)CC1
InChIInChI=1S/C19H22N4O3S/c1-26-17-6-2-3-7-18(17)27(24,25)22-14-15-8-11-23(12-9-15)19-16(13-20)5-4-10-21-19/h2-7,10,15,22H,8-9,11-12,14H2,1H3
InChIKeyHXMATLQQDZBOOG-UHFFFAOYSA-N
XLogP2.16
TPSA95.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-2-methoxybenzenesulfonamide?
The IUPAC name of N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-2-methoxybenzenesulfonamide (CID 72716897) is N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-2-methoxybenzenesulfonamide.
What is the SMILES notation for N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-2-methoxybenzenesulfonamide?
The canonical SMILES for N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-2-methoxybenzenesulfonamide is COc1ccccc1S(=O)(=O)NCC1CCN(c2ncccc2C#N)CC1.
What is the InChIKey of N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-2-methoxybenzenesulfonamide?
The InChIKey is HXMATLQQDZBOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S/c1-26-17-6-2-3-7-18(17)27(24,25)22-14-15-8-11-23(12-9-15)19-16(13-20)5-4-10-21-19/h2-7,10,15,22H,8-9,11-12,14H2,1H3.
What are the key properties of N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-2-methoxybenzenesulfonamide?
N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-2-methoxybenzenesulfonamide has a molecular weight of 386.48 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 72716897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).