N-[4-(5-cyano-6-oxo-4-phenylpiperidin-2-yl)phenyl]methanesulfonamide

C19H19N3O3S — CID 126842645

IUPACN-[4-(5-cyano-6-oxo-4-phenylpiperidin-2-yl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(C2CC(c3ccccc3)C(C#N)C(=O)N2)cc1
InChIInChI=1S/C19H19N3O3S/c1-26(24,25)22-15-9-7-14(8-10-15)18-11-16(13-5-3-2-4-6-13)17(12-20)19(23)21-18/h2-10,16-18,22H,11H2,1H3,(H,21,23)
InChIKeyAGUDPBBLDVSDOC-UHFFFAOYSA-N
MW369.45 g/mol
LogP2.54
Rot. Bonds4

About N-[4-(5-cyano-6-oxo-4-phenylpiperidin-2-yl)phenyl]methanesulfonamide

N-[4-(5-cyano-6-oxo-4-phenylpiperidin-2-yl)phenyl]methanesulfonamide (PubChem CID 126842645) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is N-[4-(5-cyano-6-oxo-4-phenylpiperidin-2-yl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(5-cyano-6-oxo-4-phenylpiperidin-2-yl)phenyl]methanesulfonamide
PubChem CID126842645
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC NameN-[4-(5-cyano-6-oxo-4-phenylpiperidin-2-yl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(C2CC(c3ccccc3)C(C#N)C(=O)N2)cc1
InChIInChI=1S/C19H19N3O3S/c1-26(24,25)22-15-9-7-14(8-10-15)18-11-16(13-5-3-2-4-6-13)17(12-20)19(23)21-18/h2-10,16-18,22H,11H2,1H3,(H,21,23)
InChIKeyAGUDPBBLDVSDOC-UHFFFAOYSA-N
XLogP2.54
TPSA99.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(5-cyano-6-oxo-4-phenylpiperidin-2-yl)phenyl]methanesulfonamide?
The IUPAC name of N-[4-(5-cyano-6-oxo-4-phenylpiperidin-2-yl)phenyl]methanesulfonamide (CID 126842645) is N-[4-(5-cyano-6-oxo-4-phenylpiperidin-2-yl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-(5-cyano-6-oxo-4-phenylpiperidin-2-yl)phenyl]methanesulfonamide?
The canonical SMILES for N-[4-(5-cyano-6-oxo-4-phenylpiperidin-2-yl)phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(C2CC(c3ccccc3)C(C#N)C(=O)N2)cc1.
What is the InChIKey of N-[4-(5-cyano-6-oxo-4-phenylpiperidin-2-yl)phenyl]methanesulfonamide?
The InChIKey is AGUDPBBLDVSDOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-26(24,25)22-15-9-7-14(8-10-15)18-11-16(13-5-3-2-4-6-13)17(12-20)19(23)21-18/h2-10,16-18,22H,11H2,1H3,(H,21,23).
What are the key properties of N-[4-(5-cyano-6-oxo-4-phenylpiperidin-2-yl)phenyl]methanesulfonamide?
N-[4-(5-cyano-6-oxo-4-phenylpiperidin-2-yl)phenyl]methanesulfonamide has a molecular weight of 369.45 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-cyano-6-oxo-4-phenylpiperidin-2-yl)phenyl]methanesulfonamide is sourced from PubChem (CID 126842645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).