4-iodo-N-(2-phenylethyl)benzenesulfonamide

C14H14INO2S — CID 1326013

IUPAC4-iodo-N-(2-phenylethyl)benzenesulfonamide
SMILESO=S(=O)(NCCc1ccccc1)c1ccc(I)cc1
InChIInChI=1S/C14H14INO2S/c15-13-6-8-14(9-7-13)19(17,18)16-11-10-12-4-2-1-3-5-12/h1-9,16H,10-11H2
InChIKeyNJWLJNTWDVAGFN-UHFFFAOYSA-N
MW387.24 g/mol
LogP2.81
Rot. Bonds5

About 4-iodo-N-(2-phenylethyl)benzenesulfonamide

4-iodo-N-(2-phenylethyl)benzenesulfonamide (PubChem CID 1326013) has the molecular formula C14H14INO2S and a molecular weight of 387.24 g/mol. Its IUPAC name is 4-iodo-N-(2-phenylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-iodo-N-(2-phenylethyl)benzenesulfonamide
PubChem CID1326013
Molecular FormulaC14H14INO2S
Molecular Weight387.24 g/mol
Exact Mass386.98
IUPAC Name4-iodo-N-(2-phenylethyl)benzenesulfonamide
SMILESO=S(=O)(NCCc1ccccc1)c1ccc(I)cc1
InChIInChI=1S/C14H14INO2S/c15-13-6-8-14(9-7-13)19(17,18)16-11-10-12-4-2-1-3-5-12/h1-9,16H,10-11H2
InChIKeyNJWLJNTWDVAGFN-UHFFFAOYSA-N
XLogP2.81
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.24
LogP ≤ 52.81
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 4-iodo-N-(2-phenylethyl)benzenesulfonamide?
The IUPAC name of 4-iodo-N-(2-phenylethyl)benzenesulfonamide (CID 1326013) is 4-iodo-N-(2-phenylethyl)benzenesulfonamide.
What is the SMILES notation for 4-iodo-N-(2-phenylethyl)benzenesulfonamide?
The canonical SMILES for 4-iodo-N-(2-phenylethyl)benzenesulfonamide is O=S(=O)(NCCc1ccccc1)c1ccc(I)cc1.
What is the InChIKey of 4-iodo-N-(2-phenylethyl)benzenesulfonamide?
The InChIKey is NJWLJNTWDVAGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14INO2S/c15-13-6-8-14(9-7-13)19(17,18)16-11-10-12-4-2-1-3-5-12/h1-9,16H,10-11H2.
What are the key properties of 4-iodo-N-(2-phenylethyl)benzenesulfonamide?
4-iodo-N-(2-phenylethyl)benzenesulfonamide has a molecular weight of 387.24 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-N-(2-phenylethyl)benzenesulfonamide is sourced from PubChem (CID 1326013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).