N-benzyl-4-methyl-N-[2-(piperidine-1-carbonyl)phenyl]benzenesulfonamide

C26H28N2O3S — CID 1108723

IUPACN-benzyl-4-methyl-N-[2-(piperidine-1-carbonyl)phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N2CCCCC2)cc1
InChIInChI=1S/C26H28N2O3S/c1-21-14-16-23(17-15-21)32(30,31)28(20-22-10-4-2-5-11-22)25-13-7-6-12-24(25)26(29)27-18-8-3-9-19-27/h2,4-7,10-17H,3,8-9,18-20H2,1H3
InChIKeyOENIGIMBPRQHEN-UHFFFAOYSA-N
MW448.59 g/mol
LogP5.02
Rot. Bonds6

About N-benzyl-4-methyl-N-[2-(piperidine-1-carbonyl)phenyl]benzenesulfonamide

N-benzyl-4-methyl-N-[2-(piperidine-1-carbonyl)phenyl]benzenesulfonamide (PubChem CID 1108723) has the molecular formula C26H28N2O3S and a molecular weight of 448.59 g/mol. Its IUPAC name is N-benzyl-4-methyl-N-[2-(piperidine-1-carbonyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-4-methyl-N-[2-(piperidine-1-carbonyl)phenyl]benzenesulfonamide
PubChem CID1108723
Molecular FormulaC26H28N2O3S
Molecular Weight448.59 g/mol
Exact Mass448.18
IUPAC NameN-benzyl-4-methyl-N-[2-(piperidine-1-carbonyl)phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N2CCCCC2)cc1
InChIInChI=1S/C26H28N2O3S/c1-21-14-16-23(17-15-21)32(30,31)28(20-22-10-4-2-5-11-22)25-13-7-6-12-24(25)26(29)27-18-8-3-9-19-27/h2,4-7,10-17H,3,8-9,18-20H2,1H3
InChIKeyOENIGIMBPRQHEN-UHFFFAOYSA-N
XLogP5.02
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.59
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-methyl-N-[2-(piperidine-1-carbonyl)phenyl]benzenesulfonamide?
The IUPAC name of N-benzyl-4-methyl-N-[2-(piperidine-1-carbonyl)phenyl]benzenesulfonamide (CID 1108723) is N-benzyl-4-methyl-N-[2-(piperidine-1-carbonyl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-benzyl-4-methyl-N-[2-(piperidine-1-carbonyl)phenyl]benzenesulfonamide?
The canonical SMILES for N-benzyl-4-methyl-N-[2-(piperidine-1-carbonyl)phenyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N2CCCCC2)cc1.
What is the InChIKey of N-benzyl-4-methyl-N-[2-(piperidine-1-carbonyl)phenyl]benzenesulfonamide?
The InChIKey is OENIGIMBPRQHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O3S/c1-21-14-16-23(17-15-21)32(30,31)28(20-22-10-4-2-5-11-22)25-13-7-6-12-24(25)26(29)27-18-8-3-9-19-27/h2,4-7,10-17H,3,8-9,18-20H2,1H3.
What are the key properties of N-benzyl-4-methyl-N-[2-(piperidine-1-carbonyl)phenyl]benzenesulfonamide?
N-benzyl-4-methyl-N-[2-(piperidine-1-carbonyl)phenyl]benzenesulfonamide has a molecular weight of 448.59 g/mol, XLogP of 5.02, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-methyl-N-[2-(piperidine-1-carbonyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 1108723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).