2-iodo-N-piperidin-4-ylbenzenesulfonamide;hydrochloride

C11H16ClIN2O2S — CID 165111784

IUPAC2-iodo-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
SMILESCl.O=S(=O)(NC1CCNCC1)c1ccccc1I
InChIInChI=1S/C11H15IN2O2S.ClH/c12-10-3-1-2-4-11(10)17(15,16)14-9-5-7-13-8-6-9;/h1-4,9,13-14H,5-8H2;1H
InChIKeyTVZZBFLCSBJLAZ-UHFFFAOYSA-N
MW402.69 g/mol
LogP1.74
Rot. Bonds3

About 2-iodo-N-piperidin-4-ylbenzenesulfonamide;hydrochloride

2-iodo-N-piperidin-4-ylbenzenesulfonamide;hydrochloride (PubChem CID 165111784) has the molecular formula C11H16ClIN2O2S and a molecular weight of 402.69 g/mol. Its IUPAC name is 2-iodo-N-piperidin-4-ylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name2-iodo-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
PubChem CID165111784
Molecular FormulaC11H16ClIN2O2S
Molecular Weight402.69 g/mol
Exact Mass401.97
IUPAC Name2-iodo-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
SMILESCl.O=S(=O)(NC1CCNCC1)c1ccccc1I
InChIInChI=1S/C11H15IN2O2S.ClH/c12-10-3-1-2-4-11(10)17(15,16)14-9-5-7-13-8-6-9;/h1-4,9,13-14H,5-8H2;1H
InChIKeyTVZZBFLCSBJLAZ-UHFFFAOYSA-N
XLogP1.74
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.69
LogP ≤ 51.74
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

2-chloro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119960748
2-chloro-N-piperidin-4-ylbenzenesulfonamide
CID 28811083
2-methoxy-N-piperidin-4-ylbenzenesulfonamide
CID 43603348
3-bromo-2-fluoro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 120706286
4-chloro-N-piperidin-4-ylnaphthalene-1-sulfonamide;hydrochloride
CID 119960548
2-chloro-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119967181
N-cyclopropyl-5-iodonaphthalene-1-sulfonamide
CID 173069908
2,6-dichloro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119960503
2-methyl-3-nitro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119960629
N-cyclopropyl-2-piperazin-1-ylbenzenesulfonamide
CID 43454625
N-pyrrolidin-3-yl-2-pyrrolidin-1-ylsulfonylbenzenesulfonamide;hydrochloride
CID 120707575
1-N-methyl-4-N-piperidin-4-ylbenzene-1,4-disulfonamide;hydrochloride
CID 120998885

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-piperidin-4-ylbenzenesulfonamide;hydrochloride?
The IUPAC name of 2-iodo-N-piperidin-4-ylbenzenesulfonamide;hydrochloride (CID 165111784) is 2-iodo-N-piperidin-4-ylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for 2-iodo-N-piperidin-4-ylbenzenesulfonamide;hydrochloride?
The canonical SMILES for 2-iodo-N-piperidin-4-ylbenzenesulfonamide;hydrochloride is Cl.O=S(=O)(NC1CCNCC1)c1ccccc1I.
What is the InChIKey of 2-iodo-N-piperidin-4-ylbenzenesulfonamide;hydrochloride?
The InChIKey is TVZZBFLCSBJLAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15IN2O2S.ClH/c12-10-3-1-2-4-11(10)17(15,16)14-9-5-7-13-8-6-9;/h1-4,9,13-14H,5-8H2;1H.
What are the key properties of 2-iodo-N-piperidin-4-ylbenzenesulfonamide;hydrochloride?
2-iodo-N-piperidin-4-ylbenzenesulfonamide;hydrochloride has a molecular weight of 402.69 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-piperidin-4-ylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 165111784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).