N-[4-(piperidine-1-carbonyl)phenyl]methanesulfonamide

C13H18N2O3S — CID 961784

IUPACN-[4-(piperidine-1-carbonyl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)N2CCCCC2)cc1
InChIInChI=1S/C13H18N2O3S/c1-19(17,18)14-12-7-5-11(6-8-12)13(16)15-9-3-2-4-10-15/h5-8,14H,2-4,9-10H2,1H3
InChIKeyZAHQFNPENKOCMC-UHFFFAOYSA-N
MW282.36 g/mol
LogP1.68
Rot. Bonds3

About N-[4-(piperidine-1-carbonyl)phenyl]methanesulfonamide

N-[4-(piperidine-1-carbonyl)phenyl]methanesulfonamide (PubChem CID 961784) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is N-[4-(piperidine-1-carbonyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(piperidine-1-carbonyl)phenyl]methanesulfonamide
PubChem CID961784
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC NameN-[4-(piperidine-1-carbonyl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)N2CCCCC2)cc1
InChIInChI=1S/C13H18N2O3S/c1-19(17,18)14-12-7-5-11(6-8-12)13(16)15-9-3-2-4-10-15/h5-8,14H,2-4,9-10H2,1H3
InChIKeyZAHQFNPENKOCMC-UHFFFAOYSA-N
XLogP1.68
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(piperidine-1-carbonyl)phenyl]methanesulfonamide?
The IUPAC name of N-[4-(piperidine-1-carbonyl)phenyl]methanesulfonamide (CID 961784) is N-[4-(piperidine-1-carbonyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-(piperidine-1-carbonyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[4-(piperidine-1-carbonyl)phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(C(=O)N2CCCCC2)cc1.
What is the InChIKey of N-[4-(piperidine-1-carbonyl)phenyl]methanesulfonamide?
The InChIKey is ZAHQFNPENKOCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-19(17,18)14-12-7-5-11(6-8-12)13(16)15-9-3-2-4-10-15/h5-8,14H,2-4,9-10H2,1H3.
What are the key properties of N-[4-(piperidine-1-carbonyl)phenyl]methanesulfonamide?
N-[4-(piperidine-1-carbonyl)phenyl]methanesulfonamide has a molecular weight of 282.36 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(piperidine-1-carbonyl)phenyl]methanesulfonamide is sourced from PubChem (CID 961784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).