N-[3-[4-(4-cyanophenyl)piperidine-1-carbonyl]phenyl]-1-phenylmethanesulfonamide

C26H25N3O3S — CID 25153362

IUPACN-[3-[4-(4-cyanophenyl)piperidine-1-carbonyl]phenyl]-1-phenylmethanesulfonamide
SMILESN#Cc1ccc(C2CCN(C(=O)c3cccc(NS(=O)(=O)Cc4ccccc4)c3)CC2)cc1
InChIInChI=1S/C26H25N3O3S/c27-18-20-9-11-22(12-10-20)23-13-15-29(16-14-23)26(30)24-7-4-8-25(17-24)28-33(31,32)19-21-5-2-1-3-6-21/h1-12,17,23,28H,13-16,19H2
InChIKeyYFJJDOLJTOPJKH-UHFFFAOYSA-N
MW459.57 g/mol
LogP4.52
Rot. Bonds6

About N-[3-[4-(4-cyanophenyl)piperidine-1-carbonyl]phenyl]-1-phenylmethanesulfonamide

N-[3-[4-(4-cyanophenyl)piperidine-1-carbonyl]phenyl]-1-phenylmethanesulfonamide (PubChem CID 25153362) has the molecular formula C26H25N3O3S and a molecular weight of 459.57 g/mol. Its IUPAC name is N-[3-[4-(4-cyanophenyl)piperidine-1-carbonyl]phenyl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[3-[4-(4-cyanophenyl)piperidine-1-carbonyl]phenyl]-1-phenylmethanesulfonamide
PubChem CID25153362
Molecular FormulaC26H25N3O3S
Molecular Weight459.57 g/mol
Exact Mass459.16
IUPAC NameN-[3-[4-(4-cyanophenyl)piperidine-1-carbonyl]phenyl]-1-phenylmethanesulfonamide
SMILESN#Cc1ccc(C2CCN(C(=O)c3cccc(NS(=O)(=O)Cc4ccccc4)c3)CC2)cc1
InChIInChI=1S/C26H25N3O3S/c27-18-20-9-11-22(12-10-20)23-13-15-29(16-14-23)26(30)24-7-4-8-25(17-24)28-33(31,32)19-21-5-2-1-3-6-21/h1-12,17,23,28H,13-16,19H2
InChIKeyYFJJDOLJTOPJKH-UHFFFAOYSA-N
XLogP4.52
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.57
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[3-[4-(4-cyanophenyl)piperidine-1-carbonyl]phenyl]-1-phenylmethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl N-[3-[4-(4-cyanophenyl)piperidine-1-carbonyl]phenyl]carbamate
CID 24988181
N-[3-(4-phenylpiperidine-1-carbonyl)phenyl]ethanesulfonamide
CID 24672674
N-[3-[4-(4-cyanophenyl)piperidine-1-carbonyl]-4-methylphenyl]-1-(3-fluorophenyl)methanesulfonamide
CID 25152126
N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]benzenesulfonamide
CID 25153989
4-butoxy-N-[3-[4-(4-cyanophenyl)piperidine-1-carbonyl]-4-methylphenyl]benzenesulfonamide;N-[3-[4-(4-cyanophenyl)piperidine-1-carbonyl]-4-fluorophenyl]-1-phenylmethanesulfonamide
CID 87720737
N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-fluorophenyl]methanesulfonamide
CID 68943849
(3-ethylphenyl)-(4-phenylpiperidin-1-yl)methanone
CID 90124178
N-(4-cyanophenyl)-1-phenylmethanesulfonamide
CID 798666
3-(benzylsulfonylamino)-N-phenylbenzamide
CID 166181432
N-[3-[4-(4-cyanophenyl)piperidine-1-carbonyl]-4-methylphenyl]-2-methoxybenzenesulfonamide
CID 25152522
[4-(methylsulfonylmethyl)phenyl]-(4-phenylpiperidin-1-yl)methanone
CID 39580416
4-[[3-(4-hydroxypiperidine-1-carbonyl)phenyl]methoxy]benzonitrile
CID 111425141

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(4-cyanophenyl)piperidine-1-carbonyl]phenyl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[3-[4-(4-cyanophenyl)piperidine-1-carbonyl]phenyl]-1-phenylmethanesulfonamide (CID 25153362) is N-[3-[4-(4-cyanophenyl)piperidine-1-carbonyl]phenyl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[3-[4-(4-cyanophenyl)piperidine-1-carbonyl]phenyl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[3-[4-(4-cyanophenyl)piperidine-1-carbonyl]phenyl]-1-phenylmethanesulfonamide is N#Cc1ccc(C2CCN(C(=O)c3cccc(NS(=O)(=O)Cc4ccccc4)c3)CC2)cc1.
What is the InChIKey of N-[3-[4-(4-cyanophenyl)piperidine-1-carbonyl]phenyl]-1-phenylmethanesulfonamide?
The InChIKey is YFJJDOLJTOPJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O3S/c27-18-20-9-11-22(12-10-20)23-13-15-29(16-14-23)26(30)24-7-4-8-25(17-24)28-33(31,32)19-21-5-2-1-3-6-21/h1-12,17,23,28H,13-16,19H2.
What are the key properties of N-[3-[4-(4-cyanophenyl)piperidine-1-carbonyl]phenyl]-1-phenylmethanesulfonamide?
N-[3-[4-(4-cyanophenyl)piperidine-1-carbonyl]phenyl]-1-phenylmethanesulfonamide has a molecular weight of 459.57 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(4-cyanophenyl)piperidine-1-carbonyl]phenyl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 25153362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).