N-(4-chloro-2-iodophenyl)piperidine-4-sulfonamide

C11H14ClIN2O2S — CID 107626790

IUPACN-(4-chloro-2-iodophenyl)piperidine-4-sulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)cc1I)C1CCNCC1
InChIInChI=1S/C11H14ClIN2O2S/c12-8-1-2-11(10(13)7-8)15-18(16,17)9-3-5-14-6-4-9/h1-2,7,9,14-15H,3-6H2
InChIKeyACWMNQISKYVWLS-UHFFFAOYSA-N
MW400.67 g/mol
LogP2.44
Rot. Bonds3

About N-(4-chloro-2-iodophenyl)piperidine-4-sulfonamide

N-(4-chloro-2-iodophenyl)piperidine-4-sulfonamide (PubChem CID 107626790) has the molecular formula C11H14ClIN2O2S and a molecular weight of 400.67 g/mol. Its IUPAC name is N-(4-chloro-2-iodophenyl)piperidine-4-sulfonamide.

Molecular Properties

Compound NameN-(4-chloro-2-iodophenyl)piperidine-4-sulfonamide
PubChem CID107626790
Molecular FormulaC11H14ClIN2O2S
Molecular Weight400.67 g/mol
Exact Mass399.95
IUPAC NameN-(4-chloro-2-iodophenyl)piperidine-4-sulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)cc1I)C1CCNCC1
InChIInChI=1S/C11H14ClIN2O2S/c12-8-1-2-11(10(13)7-8)15-18(16,17)9-3-5-14-6-4-9/h1-2,7,9,14-15H,3-6H2
InChIKeyACWMNQISKYVWLS-UHFFFAOYSA-N
XLogP2.44
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.67
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze N-(4-chloro-2-iodophenyl)piperidine-4-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-(2-bromo-4-chlorophenyl)piperidine-4-sulfonamide
CID 81280206
N-[3,4-difluoro-2-[(2-fluoro-4-iodophenyl)methyl]phenyl]piperidine-4-sulfonamide
CID 58133055
N-(4-chloro-2-iodophenyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107626835
N-(2-bromo-5-fluorophenyl)piperidine-4-sulfonamide
CID 107626850
N-(2,4-difluorophenyl)pyrrolidine-3-sulfonamide
CID 65420908
4-chloro-N-cyclopropyl-2-iodoaniline
CID 107632159
N-(2-fluoro-4-methylphenyl)pyrrolidine-3-sulfonamide
CID 65420035
N-(2-chloro-5-fluorophenyl)pyrrolidine-3-sulfonamide
CID 114285118
2-[(4-chloro-2-iodophenyl)sulfamoyl]acetic acid
CID 107624863
N-[2-(dimethylamino)phenyl]piperidine-4-sulfonamide
CID 106760184
N-(4-chloro-2-iodophenyl)-3-methylpiperidine-1-sulfonamide
CID 107640819
N-(2-bromo-5-chlorophenyl)piperidine-3-sulfonamide
CID 81280209

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-iodophenyl)piperidine-4-sulfonamide?
The IUPAC name of N-(4-chloro-2-iodophenyl)piperidine-4-sulfonamide (CID 107626790) is N-(4-chloro-2-iodophenyl)piperidine-4-sulfonamide.
What is the SMILES notation for N-(4-chloro-2-iodophenyl)piperidine-4-sulfonamide?
The canonical SMILES for N-(4-chloro-2-iodophenyl)piperidine-4-sulfonamide is O=S(=O)(Nc1ccc(Cl)cc1I)C1CCNCC1.
What is the InChIKey of N-(4-chloro-2-iodophenyl)piperidine-4-sulfonamide?
The InChIKey is ACWMNQISKYVWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClIN2O2S/c12-8-1-2-11(10(13)7-8)15-18(16,17)9-3-5-14-6-4-9/h1-2,7,9,14-15H,3-6H2.
What are the key properties of N-(4-chloro-2-iodophenyl)piperidine-4-sulfonamide?
N-(4-chloro-2-iodophenyl)piperidine-4-sulfonamide has a molecular weight of 400.67 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-iodophenyl)piperidine-4-sulfonamide is sourced from PubChem (CID 107626790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).