4-iodo-N-(2-piperidin-1-ylethyl)benzenesulfonamide

C13H19IN2O2S — CID 10023529

IUPAC4-iodo-N-(2-piperidin-1-ylethyl)benzenesulfonamide
SMILESO=S(=O)(NCCN1CCCCC1)c1ccc(I)cc1
InChIInChI=1S/C13H19IN2O2S/c14-12-4-6-13(7-5-12)19(17,18)15-8-11-16-9-2-1-3-10-16/h4-7,15H,1-3,8-11H2
InChIKeyHTKDNKYTFZGEPG-UHFFFAOYSA-N
MW394.28 g/mol
LogP2.06
Rot. Bonds5

About 4-iodo-N-(2-piperidin-1-ylethyl)benzenesulfonamide

4-iodo-N-(2-piperidin-1-ylethyl)benzenesulfonamide (PubChem CID 10023529) has the molecular formula C13H19IN2O2S and a molecular weight of 394.28 g/mol. Its IUPAC name is 4-iodo-N-(2-piperidin-1-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-iodo-N-(2-piperidin-1-ylethyl)benzenesulfonamide
PubChem CID10023529
Molecular FormulaC13H19IN2O2S
Molecular Weight394.28 g/mol
Exact Mass394.02
IUPAC Name4-iodo-N-(2-piperidin-1-ylethyl)benzenesulfonamide
SMILESO=S(=O)(NCCN1CCCCC1)c1ccc(I)cc1
InChIInChI=1S/C13H19IN2O2S/c14-12-4-6-13(7-5-12)19(17,18)15-8-11-16-9-2-1-3-10-16/h4-7,15H,1-3,8-11H2
InChIKeyHTKDNKYTFZGEPG-UHFFFAOYSA-N
XLogP2.06
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.28
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-iodo-N-(2-piperidin-1-ylethyl)benzenesulfonamide?
The IUPAC name of 4-iodo-N-(2-piperidin-1-ylethyl)benzenesulfonamide (CID 10023529) is 4-iodo-N-(2-piperidin-1-ylethyl)benzenesulfonamide.
What is the SMILES notation for 4-iodo-N-(2-piperidin-1-ylethyl)benzenesulfonamide?
The canonical SMILES for 4-iodo-N-(2-piperidin-1-ylethyl)benzenesulfonamide is O=S(=O)(NCCN1CCCCC1)c1ccc(I)cc1.
What is the InChIKey of 4-iodo-N-(2-piperidin-1-ylethyl)benzenesulfonamide?
The InChIKey is HTKDNKYTFZGEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19IN2O2S/c14-12-4-6-13(7-5-12)19(17,18)15-8-11-16-9-2-1-3-10-16/h4-7,15H,1-3,8-11H2.
What are the key properties of 4-iodo-N-(2-piperidin-1-ylethyl)benzenesulfonamide?
4-iodo-N-(2-piperidin-1-ylethyl)benzenesulfonamide has a molecular weight of 394.28 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-N-(2-piperidin-1-ylethyl)benzenesulfonamide is sourced from PubChem (CID 10023529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).