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

C12H16ClIN2O2S — CID 107606867

IUPACN-(2-chloro-4-iodophenyl)-2-methylpiperidine-1-sulfonamide
SMILESCC1CCCCN1S(=O)(=O)Nc1ccc(I)cc1Cl
InChIInChI=1S/C12H16ClIN2O2S/c1-9-4-2-3-7-16(9)19(17,18)15-12-6-5-10(14)8-11(12)13/h5-6,8-9,15H,2-4,7H2,1H3
InChIKeyMBKQNAXRXWCTSQ-UHFFFAOYSA-N
MW414.70 g/mol
LogP3.48
Rot. Bonds3

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

N-(2-chloro-4-iodophenyl)-2-methylpiperidine-1-sulfonamide (PubChem CID 107606867) has the molecular formula C12H16ClIN2O2S and a molecular weight of 414.70 g/mol. Its IUPAC name is N-(2-chloro-4-iodophenyl)-2-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(2-chloro-4-iodophenyl)-2-methylpiperidine-1-sulfonamide
PubChem CID107606867
Molecular FormulaC12H16ClIN2O2S
Molecular Weight414.70 g/mol
Exact Mass413.97
IUPAC NameN-(2-chloro-4-iodophenyl)-2-methylpiperidine-1-sulfonamide
SMILESCC1CCCCN1S(=O)(=O)Nc1ccc(I)cc1Cl
InChIInChI=1S/C12H16ClIN2O2S/c1-9-4-2-3-7-16(9)19(17,18)15-12-6-5-10(14)8-11(12)13/h5-6,8-9,15H,2-4,7H2,1H3
InChIKeyMBKQNAXRXWCTSQ-UHFFFAOYSA-N
XLogP3.48
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 ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-iodophenyl)-2-methylpiperidine-1-sulfonamide?
The IUPAC name of N-(2-chloro-4-iodophenyl)-2-methylpiperidine-1-sulfonamide (CID 107606867) is N-(2-chloro-4-iodophenyl)-2-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-(2-chloro-4-iodophenyl)-2-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-(2-chloro-4-iodophenyl)-2-methylpiperidine-1-sulfonamide is CC1CCCCN1S(=O)(=O)Nc1ccc(I)cc1Cl.
What is the InChIKey of N-(2-chloro-4-iodophenyl)-2-methylpiperidine-1-sulfonamide?
The InChIKey is MBKQNAXRXWCTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClIN2O2S/c1-9-4-2-3-7-16(9)19(17,18)15-12-6-5-10(14)8-11(12)13/h5-6,8-9,15H,2-4,7H2,1H3.
What are the key properties of N-(2-chloro-4-iodophenyl)-2-methylpiperidine-1-sulfonamide?
N-(2-chloro-4-iodophenyl)-2-methylpiperidine-1-sulfonamide has a molecular weight of 414.70 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-iodophenyl)-2-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 107606867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).