N-benzyl-4-(piperidine-1-carbonyl)benzenesulfonamide

C19H22N2O3S — CID 109059407

IUPACN-benzyl-4-(piperidine-1-carbonyl)benzenesulfonamide
SMILESO=C(c1ccc(S(=O)(=O)NCc2ccccc2)cc1)N1CCCCC1
InChIInChI=1S/C19H22N2O3S/c22-19(21-13-5-2-6-14-21)17-9-11-18(12-10-17)25(23,24)20-15-16-7-3-1-4-8-16/h1,3-4,7-12,20H,2,5-6,13-15H2
InChIKeyAAHMAAQSMMGLIA-UHFFFAOYSA-N
MW358.46 g/mol
LogP2.79
Rot. Bonds5

About N-benzyl-4-(piperidine-1-carbonyl)benzenesulfonamide

N-benzyl-4-(piperidine-1-carbonyl)benzenesulfonamide (PubChem CID 109059407) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is N-benzyl-4-(piperidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-4-(piperidine-1-carbonyl)benzenesulfonamide
PubChem CID109059407
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC NameN-benzyl-4-(piperidine-1-carbonyl)benzenesulfonamide
SMILESO=C(c1ccc(S(=O)(=O)NCc2ccccc2)cc1)N1CCCCC1
InChIInChI=1S/C19H22N2O3S/c22-19(21-13-5-2-6-14-21)17-9-11-18(12-10-17)25(23,24)20-15-16-7-3-1-4-8-16/h1,3-4,7-12,20H,2,5-6,13-15H2
InChIKeyAAHMAAQSMMGLIA-UHFFFAOYSA-N
XLogP2.79
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-benzyl-4-(piperidine-1-carbonyl)benzenesulfonamide 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

N-[[3-(piperidine-1-carbonyl)phenyl]methyl]benzenesulfonamide
CID 39659483
N-[[4-(piperidine-1-carbonyl)phenyl]methyl]naphthalene-2-sulfonamide
CID 8573229
N-[[4-(azepane-1-carbonyl)phenyl]methyl]-3-chlorobenzenesulfonamide
CID 2213121
5-(azepane-1-carbonyl)-N-benzyl-2-chlorobenzenesulfonamide
CID 9314912
4-(azepane-1-carbonyl)-N-prop-2-ynylbenzenesulfonamide
CID 17466659
N-benzyl-4-piperidin-1-ylbenzenesulfonamide
CID 735438
2-nitro-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzenesulfonamide
CID 32682697
4-(benzylsulfamoyl)benzoate
CID 4743721
N-benzyl-4-(piperidin-1-ylmethyl)benzenesulfonamide
CID 71050440
4-methyl-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]benzenesulfonamide
CID 3641567
4-(4-formylpiperazine-1-carbonyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 109060439
N-(2-methylpropyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 109058905

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(piperidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of N-benzyl-4-(piperidine-1-carbonyl)benzenesulfonamide (CID 109059407) is N-benzyl-4-(piperidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-benzyl-4-(piperidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for N-benzyl-4-(piperidine-1-carbonyl)benzenesulfonamide is O=C(c1ccc(S(=O)(=O)NCc2ccccc2)cc1)N1CCCCC1.
What is the InChIKey of N-benzyl-4-(piperidine-1-carbonyl)benzenesulfonamide?
The InChIKey is AAHMAAQSMMGLIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c22-19(21-13-5-2-6-14-21)17-9-11-18(12-10-17)25(23,24)20-15-16-7-3-1-4-8-16/h1,3-4,7-12,20H,2,5-6,13-15H2.
What are the key properties of N-benzyl-4-(piperidine-1-carbonyl)benzenesulfonamide?
N-benzyl-4-(piperidine-1-carbonyl)benzenesulfonamide has a molecular weight of 358.46 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(piperidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 109059407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).