N-(2-chloro-4-iodophenyl)-1-piperidin-2-ylmethanesulfonamide

C12H16ClIN2O2S — CID 107605719

IUPACN-(2-chloro-4-iodophenyl)-1-piperidin-2-ylmethanesulfonamide
SMILESO=S(=O)(CC1CCCCN1)Nc1ccc(I)cc1Cl
InChIInChI=1S/C12H16ClIN2O2S/c13-11-7-9(14)4-5-12(11)16-19(17,18)8-10-3-1-2-6-15-10/h4-5,7,10,15-16H,1-3,6,8H2
InChIKeyGIDKGZYIWDQZSM-UHFFFAOYSA-N
MW414.70 g/mol
LogP2.83
Rot. Bonds4

About N-(2-chloro-4-iodophenyl)-1-piperidin-2-ylmethanesulfonamide

N-(2-chloro-4-iodophenyl)-1-piperidin-2-ylmethanesulfonamide (PubChem CID 107605719) has the molecular formula C12H16ClIN2O2S and a molecular weight of 414.70 g/mol. Its IUPAC name is N-(2-chloro-4-iodophenyl)-1-piperidin-2-ylmethanesulfonamide.

Molecular Properties

Compound NameN-(2-chloro-4-iodophenyl)-1-piperidin-2-ylmethanesulfonamide
PubChem CID107605719
Molecular FormulaC12H16ClIN2O2S
Molecular Weight414.70 g/mol
Exact Mass413.97
IUPAC NameN-(2-chloro-4-iodophenyl)-1-piperidin-2-ylmethanesulfonamide
SMILESO=S(=O)(CC1CCCCN1)Nc1ccc(I)cc1Cl
InChIInChI=1S/C12H16ClIN2O2S/c13-11-7-9(14)4-5-12(11)16-19(17,18)8-10-3-1-2-6-15-10/h4-5,7,10,15-16H,1-3,6,8H2
InChIKeyGIDKGZYIWDQZSM-UHFFFAOYSA-N
XLogP2.83
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.70
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chlorophenyl)-1-pyrrolidin-2-ylmethanesulfonamide
CID 54973701
N-(2-chloro-4-iodophenyl)-1-(oxolan-2-yl)methanesulfonamide
CID 113238115
N-phenyl-1-piperidin-2-ylmethanesulfonamide
CID 54974221
N-(2-hydroxyphenyl)-1-piperidin-2-ylmethanesulfonamide
CID 115071292
N-(4-bromo-3,5-dimethylphenyl)-1-piperidin-2-ylmethanesulfonamide
CID 107575648
N-(2-fluoro-5-methylphenyl)-1-pyrrolidin-2-ylmethanesulfonamide
CID 54972264
N-(5-bromo-2-fluorophenyl)-1-pyrrolidin-2-ylmethanesulfonamide
CID 54972028
N-(3-ethyl-1-methylpyrazol-4-yl)-1-piperidin-2-ylmethanesulfonamide
CID 107463809
N-[3-(dimethylamino)-4-methylphenyl]-1-piperidin-2-ylmethanesulfonamide
CID 115378310
N-(1-benzothiophen-5-yl)-1-piperidin-2-ylmethanesulfonamide
CID 65450515
N-(2-chloro-4-iodophenyl)-2-methylpiperidine-1-sulfonamide
CID 107606867
N-(6-methyl-2-pyridinyl)-1-piperidin-2-ylmethanesulfonamide
CID 54973719

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-iodophenyl)-1-piperidin-2-ylmethanesulfonamide?
The IUPAC name of N-(2-chloro-4-iodophenyl)-1-piperidin-2-ylmethanesulfonamide (CID 107605719) is N-(2-chloro-4-iodophenyl)-1-piperidin-2-ylmethanesulfonamide.
What is the SMILES notation for N-(2-chloro-4-iodophenyl)-1-piperidin-2-ylmethanesulfonamide?
The canonical SMILES for N-(2-chloro-4-iodophenyl)-1-piperidin-2-ylmethanesulfonamide is O=S(=O)(CC1CCCCN1)Nc1ccc(I)cc1Cl.
What is the InChIKey of N-(2-chloro-4-iodophenyl)-1-piperidin-2-ylmethanesulfonamide?
The InChIKey is GIDKGZYIWDQZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClIN2O2S/c13-11-7-9(14)4-5-12(11)16-19(17,18)8-10-3-1-2-6-15-10/h4-5,7,10,15-16H,1-3,6,8H2.
What are the key properties of N-(2-chloro-4-iodophenyl)-1-piperidin-2-ylmethanesulfonamide?
N-(2-chloro-4-iodophenyl)-1-piperidin-2-ylmethanesulfonamide has a molecular weight of 414.70 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-iodophenyl)-1-piperidin-2-ylmethanesulfonamide is sourced from PubChem (CID 107605719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).