N-(4-chloro-2-iodophenyl)-3-methylpiperidine-1-sulfonamide

C12H16ClIN2O2S — CID 107640819

IUPACN-(4-chloro-2-iodophenyl)-3-methylpiperidine-1-sulfonamide
SMILESCC1CCCN(S(=O)(=O)Nc2ccc(Cl)cc2I)C1
InChIInChI=1S/C12H16ClIN2O2S/c1-9-3-2-6-16(8-9)19(17,18)15-12-5-4-10(13)7-11(12)14/h4-5,7,9,15H,2-3,6,8H2,1H3
InChIKeyBFYGATCMYIKUGS-UHFFFAOYSA-N
MW414.70 g/mol
LogP3.33
Rot. Bonds3

About N-(4-chloro-2-iodophenyl)-3-methylpiperidine-1-sulfonamide

N-(4-chloro-2-iodophenyl)-3-methylpiperidine-1-sulfonamide (PubChem CID 107640819) has the molecular formula C12H16ClIN2O2S and a molecular weight of 414.70 g/mol. Its IUPAC name is N-(4-chloro-2-iodophenyl)-3-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(4-chloro-2-iodophenyl)-3-methylpiperidine-1-sulfonamide
PubChem CID107640819
Molecular FormulaC12H16ClIN2O2S
Molecular Weight414.70 g/mol
Exact Mass413.97
IUPAC NameN-(4-chloro-2-iodophenyl)-3-methylpiperidine-1-sulfonamide
SMILESCC1CCCN(S(=O)(=O)Nc2ccc(Cl)cc2I)C1
InChIInChI=1S/C12H16ClIN2O2S/c1-9-3-2-6-16(8-9)19(17,18)15-12-5-4-10(13)7-11(12)14/h4-5,7,9,15H,2-3,6,8H2,1H3
InChIKeyBFYGATCMYIKUGS-UHFFFAOYSA-N
XLogP3.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.70
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(4-chloro-2-iodophenyl)-3-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

N-(4-bromo-2-methylphenyl)-3-methylpiperidine-1-sulfonamide
CID 43102128
N-(4-bromo-3-iodophenyl)-3-methylpiperidine-1-sulfonamide
CID 114259631
N-(2-amino-5-methylphenyl)-3-methylpiperidine-1-sulfonamide
CID 112557529
(3S)-1-(4-chlorophenyl)sulfonyl-3-methylpiperidine
CID 710396
(3R)-1-(2,4-dichlorophenyl)sulfonyl-3-methylpiperidine
CID 27210471
N-(2-bromo-4-chlorophenyl)-3-(methylaminomethyl)piperidine-1-sulfonamide
CID 106073482
N-(5-amino-2-bromo-4-methylphenyl)-3-methylpiperidine-1-sulfonamide
CID 104814631
2-methyl-3-[(3-methylpiperidin-1-yl)sulfonylamino]benzoic acid
CID 62946764
2-fluoro-4-methoxy-5-[(3-methylpiperidin-1-yl)sulfonylamino]benzoic acid
CID 166292995
1-(4-chlorophenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]methanesulfonamide
CID 17312255
4-chloro-2-(3-methylpiperidin-1-yl)sulfonylbenzoic acid
CID 22748532
N-(3-amino-4-bromophenyl)-3-methylpiperidine-1-sulfonamide
CID 79768125

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-iodophenyl)-3-methylpiperidine-1-sulfonamide?
The IUPAC name of N-(4-chloro-2-iodophenyl)-3-methylpiperidine-1-sulfonamide (CID 107640819) is N-(4-chloro-2-iodophenyl)-3-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-(4-chloro-2-iodophenyl)-3-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-(4-chloro-2-iodophenyl)-3-methylpiperidine-1-sulfonamide is CC1CCCN(S(=O)(=O)Nc2ccc(Cl)cc2I)C1.
What is the InChIKey of N-(4-chloro-2-iodophenyl)-3-methylpiperidine-1-sulfonamide?
The InChIKey is BFYGATCMYIKUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClIN2O2S/c1-9-3-2-6-16(8-9)19(17,18)15-12-5-4-10(13)7-11(12)14/h4-5,7,9,15H,2-3,6,8H2,1H3.
What are the key properties of N-(4-chloro-2-iodophenyl)-3-methylpiperidine-1-sulfonamide?
N-(4-chloro-2-iodophenyl)-3-methylpiperidine-1-sulfonamide has a molecular weight of 414.70 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-iodophenyl)-3-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 107640819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).