N-(4-iodophenyl)-4-methylpiperidine-1-sulfonamide

C12H17IN2O2S — CID 61400325

IUPACN-(4-iodophenyl)-4-methylpiperidine-1-sulfonamide
SMILESCC1CCN(S(=O)(=O)Nc2ccc(I)cc2)CC1
InChIInChI=1S/C12H17IN2O2S/c1-10-6-8-15(9-7-10)18(16,17)14-12-4-2-11(13)3-5-12/h2-5,10,14H,6-9H2,1H3
InChIKeyGDLYTPQUJJOLIA-UHFFFAOYSA-N
MW380.25 g/mol
LogP2.68
Rot. Bonds3

About N-(4-iodophenyl)-4-methylpiperidine-1-sulfonamide

N-(4-iodophenyl)-4-methylpiperidine-1-sulfonamide (PubChem CID 61400325) has the molecular formula C12H17IN2O2S and a molecular weight of 380.25 g/mol. Its IUPAC name is N-(4-iodophenyl)-4-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(4-iodophenyl)-4-methylpiperidine-1-sulfonamide
PubChem CID61400325
Molecular FormulaC12H17IN2O2S
Molecular Weight380.25 g/mol
Exact Mass380.01
IUPAC NameN-(4-iodophenyl)-4-methylpiperidine-1-sulfonamide
SMILESCC1CCN(S(=O)(=O)Nc2ccc(I)cc2)CC1
InChIInChI=1S/C12H17IN2O2S/c1-10-6-8-15(9-7-10)18(16,17)14-12-4-2-11(13)3-5-12/h2-5,10,14H,6-9H2,1H3
InChIKeyGDLYTPQUJJOLIA-UHFFFAOYSA-N
XLogP2.68
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.25
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(4-iodophenyl)-4-methylpiperidine-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

4-[(4-methylpiperidin-1-yl)sulfonylamino]benzoic acid
CID 28784299
4-methyl-N-[4-[1-(methylamino)ethyl]phenyl]piperidine-1-sulfonamide
CID 43508068
N-(3-amino-4-ethylphenyl)-4-methylpiperidine-1-sulfonamide
CID 43551097
2-hydroxy-4-[(4-methylpiperidin-1-yl)sulfonylamino]benzoic acid
CID 29297612
2-bromo-5-[(4-methylpiperidin-1-yl)sulfonylamino]benzoic acid
CID 115295978
4-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)piperidine-1-sulfonamide
CID 63902333
N-[3-(aminomethyl)-4-fluorophenyl]-4-methylpiperidine-1-sulfonamide
CID 62316606
2-[5-[(4-methylpiperidin-1-yl)sulfonylamino]-2-pyridinyl]acetic acid
CID 107339881
4-methyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)piperidine-1-sulfonamide
CID 63930609
N-[3-(1-hydroxyethyl)phenyl]-4-methylpiperidine-1-sulfonamide
CID 43508625
4-methyl-N-[3-[1-(methylamino)ethyl]phenyl]piperidine-1-sulfonamide
CID 43508114
4-methyl-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)piperidine-1-sulfonamide
CID 90601849

Frequently Asked Questions

What is the IUPAC name of N-(4-iodophenyl)-4-methylpiperidine-1-sulfonamide?
The IUPAC name of N-(4-iodophenyl)-4-methylpiperidine-1-sulfonamide (CID 61400325) is N-(4-iodophenyl)-4-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-(4-iodophenyl)-4-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-(4-iodophenyl)-4-methylpiperidine-1-sulfonamide is CC1CCN(S(=O)(=O)Nc2ccc(I)cc2)CC1.
What is the InChIKey of N-(4-iodophenyl)-4-methylpiperidine-1-sulfonamide?
The InChIKey is GDLYTPQUJJOLIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17IN2O2S/c1-10-6-8-15(9-7-10)18(16,17)14-12-4-2-11(13)3-5-12/h2-5,10,14H,6-9H2,1H3.
What are the key properties of N-(4-iodophenyl)-4-methylpiperidine-1-sulfonamide?
N-(4-iodophenyl)-4-methylpiperidine-1-sulfonamide has a molecular weight of 380.25 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodophenyl)-4-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 61400325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).