4-iodo-2-pentylbenzenesulfonamide

C11H16INO2S — CID 22908610

IUPAC4-iodo-2-pentylbenzenesulfonamide
SMILESCCCCCc1cc(I)ccc1S(N)(=O)=O
InChIInChI=1S/C11H16INO2S/c1-2-3-4-5-9-8-10(12)6-7-11(9)16(13,14)15/h6-8H,2-5H2,1H3,(H2,13,14,15)
InChIKeyZTKBEIPOYFOGDD-UHFFFAOYSA-N
MW353.23 g/mol
LogP2.67
Rot. Bonds5

About 4-iodo-2-pentylbenzenesulfonamide

4-iodo-2-pentylbenzenesulfonamide (PubChem CID 22908610) has the molecular formula C11H16INO2S and a molecular weight of 353.23 g/mol. Its IUPAC name is 4-iodo-2-pentylbenzenesulfonamide.

Molecular Properties

Compound Name4-iodo-2-pentylbenzenesulfonamide
PubChem CID22908610
Molecular FormulaC11H16INO2S
Molecular Weight353.23 g/mol
Exact Mass352.99
IUPAC Name4-iodo-2-pentylbenzenesulfonamide
SMILESCCCCCc1cc(I)ccc1S(N)(=O)=O
InChIInChI=1S/C11H16INO2S/c1-2-3-4-5-9-8-10(12)6-7-11(9)16(13,14)15/h6-8H,2-5H2,1H3,(H2,13,14,15)
InChIKeyZTKBEIPOYFOGDD-UHFFFAOYSA-N
XLogP2.67
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.23
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-nonylbenzenesulfonamide
CID 70447042
2-dodecyl-4-iodoaniline
CID 139793987
2-[(9Z,12Z)-octadeca-9,12-dienyl]benzenesulfonamide
CID 175087049
4-methyl-2-pentyl-3-propylbenzenesulfonamide
CID 69468527
(4-iodo-2-octylphenyl) hydrogen carbonate
CID 54572223
2-hexadecyl-4-hydroxybenzenesulfonic acid
CID 101301390
ethyl 5-iodo-2-sulfamoylbenzoate
CID 19376834
4-acetyl-2-propylbenzenesulfonamide
CID 73012694
4-methyl-2-octadecylbenzenesulfonic acid
CID 54163879
4-tert-butyl-2-hexadecylbenzenesulfonic acid
CID 175694533
2-butyl-5-propan-2-ylbenzenesulfonamide
CID 142683434
3-dodecylthiophene-2-sulfonamide
CID 154311081

Frequently Asked Questions

What is the IUPAC name of 4-iodo-2-pentylbenzenesulfonamide?
The IUPAC name of 4-iodo-2-pentylbenzenesulfonamide (CID 22908610) is 4-iodo-2-pentylbenzenesulfonamide.
What is the SMILES notation for 4-iodo-2-pentylbenzenesulfonamide?
The canonical SMILES for 4-iodo-2-pentylbenzenesulfonamide is CCCCCc1cc(I)ccc1S(N)(=O)=O.
What is the InChIKey of 4-iodo-2-pentylbenzenesulfonamide?
The InChIKey is ZTKBEIPOYFOGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16INO2S/c1-2-3-4-5-9-8-10(12)6-7-11(9)16(13,14)15/h6-8H,2-5H2,1H3,(H2,13,14,15).
What are the key properties of 4-iodo-2-pentylbenzenesulfonamide?
4-iodo-2-pentylbenzenesulfonamide has a molecular weight of 353.23 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-2-pentylbenzenesulfonamide is sourced from PubChem (CID 22908610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).