N-[2-(3-chlorophenyl)-2-methylpropyl]piperidine-1-sulfonamide

C15H23ClN2O2S — CID 86867163

IUPACN-[2-(3-chlorophenyl)-2-methylpropyl]piperidine-1-sulfonamide
SMILESCC(C)(CNS(=O)(=O)N1CCCCC1)c1cccc(Cl)c1
InChIInChI=1S/C15H23ClN2O2S/c1-15(2,13-7-6-8-14(16)11-13)12-17-21(19,20)18-9-4-3-5-10-18/h6-8,11,17H,3-5,9-10,12H2,1-2H3
InChIKeyUDKYZBDAKGLQIH-UHFFFAOYSA-N
MW330.88 g/mol
LogP2.94
Rot. Bonds5

About N-[2-(3-chlorophenyl)-2-methylpropyl]piperidine-1-sulfonamide

N-[2-(3-chlorophenyl)-2-methylpropyl]piperidine-1-sulfonamide (PubChem CID 86867163) has the molecular formula C15H23ClN2O2S and a molecular weight of 330.88 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)-2-methylpropyl]piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)-2-methylpropyl]piperidine-1-sulfonamide
PubChem CID86867163
Molecular FormulaC15H23ClN2O2S
Molecular Weight330.88 g/mol
Exact Mass330.12
IUPAC NameN-[2-(3-chlorophenyl)-2-methylpropyl]piperidine-1-sulfonamide
SMILESCC(C)(CNS(=O)(=O)N1CCCCC1)c1cccc(Cl)c1
InChIInChI=1S/C15H23ClN2O2S/c1-15(2,13-7-6-8-14(16)11-13)12-17-21(19,20)18-9-4-3-5-10-18/h6-8,11,17H,3-5,9-10,12H2,1-2H3
InChIKeyUDKYZBDAKGLQIH-UHFFFAOYSA-N
XLogP2.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.88
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-(3-chlorophenyl)-2-methylpropyl]piperidine-1-sulfonamide 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-chlorophenyl)methyl]pyrrolidine-1-sulfonamide
CID 127505072
N-(4-chloro-2,2-dimethylbutyl)azepane-1-sulfonamide
CID 106146071
ethyl 4-[[2-(3-chlorophenyl)-2-methylpropyl]sulfamoyl]butanoate
CID 86962394
N-[2-(3-chlorophenyl)-2-methylpropyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120970612
N-[2-(2,4-dichlorophenyl)ethyl]piperidine-1-sulfonamide
CID 47148941
1-tert-butyl-3-chlorobenzene;sulfuryl dichloride
CID 174401484
N-[3-(3-chlorophenyl)-2-hydroxypropyl]azetidine-1-sulfonamide
CID 166249626
N-[[3-(chloromethyl)phenyl]methyl]azepane-1-sulfonamide
CID 65032852
N-[2-(3-chlorophenyl)-2-methylpropyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide
CID 47085188
ethyl 3-(3-chlorophenyl)-3-piperidin-1-ylbutanoate
CID 64540117
N-[2-(3-chlorophenyl)-2-methylpropyl]-2-morpholin-4-ylpropanamide
CID 110446361
N-(methylaminomethyl)piperidine-1-sulfonamide
CID 117126231

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)-2-methylpropyl]piperidine-1-sulfonamide?
The IUPAC name of N-[2-(3-chlorophenyl)-2-methylpropyl]piperidine-1-sulfonamide (CID 86867163) is N-[2-(3-chlorophenyl)-2-methylpropyl]piperidine-1-sulfonamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)-2-methylpropyl]piperidine-1-sulfonamide?
The canonical SMILES for N-[2-(3-chlorophenyl)-2-methylpropyl]piperidine-1-sulfonamide is CC(C)(CNS(=O)(=O)N1CCCCC1)c1cccc(Cl)c1.
What is the InChIKey of N-[2-(3-chlorophenyl)-2-methylpropyl]piperidine-1-sulfonamide?
The InChIKey is UDKYZBDAKGLQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2S/c1-15(2,13-7-6-8-14(16)11-13)12-17-21(19,20)18-9-4-3-5-10-18/h6-8,11,17H,3-5,9-10,12H2,1-2H3.
What are the key properties of N-[2-(3-chlorophenyl)-2-methylpropyl]piperidine-1-sulfonamide?
N-[2-(3-chlorophenyl)-2-methylpropyl]piperidine-1-sulfonamide has a molecular weight of 330.88 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)-2-methylpropyl]piperidine-1-sulfonamide is sourced from PubChem (CID 86867163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).