4-fluoro-N-(5-iodopentyl)benzenesulfonamide

C11H15FINO2S — CID 107322828

IUPAC4-fluoro-N-(5-iodopentyl)benzenesulfonamide
SMILESO=S(=O)(NCCCCCI)c1ccc(F)cc1
InChIInChI=1S/C11H15FINO2S/c12-10-4-6-11(7-5-10)17(15,16)14-9-3-1-2-8-13/h4-7,14H,1-3,8-9H2
InChIKeyXVDRYIMPWLXJSI-UHFFFAOYSA-N
MW371.22 g/mol
LogP2.71
Rot. Bonds7

About 4-fluoro-N-(5-iodopentyl)benzenesulfonamide

4-fluoro-N-(5-iodopentyl)benzenesulfonamide (PubChem CID 107322828) has the molecular formula C11H15FINO2S and a molecular weight of 371.22 g/mol. Its IUPAC name is 4-fluoro-N-(5-iodopentyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(5-iodopentyl)benzenesulfonamide
PubChem CID107322828
Molecular FormulaC11H15FINO2S
Molecular Weight371.22 g/mol
Exact Mass370.99
IUPAC Name4-fluoro-N-(5-iodopentyl)benzenesulfonamide
SMILESO=S(=O)(NCCCCCI)c1ccc(F)cc1
InChIInChI=1S/C11H15FINO2S/c12-10-4-6-11(7-5-10)17(15,16)14-9-3-1-2-8-13/h4-7,14H,1-3,8-9H2
InChIKeyXVDRYIMPWLXJSI-UHFFFAOYSA-N
XLogP2.71
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.22
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-(6-iodohexyl)benzenesulfonamide
CID 107849052
3,4-difluoro-N-(6-iodohexyl)benzenesulfonamide
CID 107848959
N-(4-iodobutyl)benzenesulfonamide
CID 106846581
4-fluoro-N-(3-methylsulfonylpropyl)benzenesulfonamide
CID 47298915
4-fluoro-N-(4-phenylbutyl)benzenesulfonamide
CID 3765011
2-chloro-5-fluoro-N-(6-iodohexyl)benzenesulfonamide
CID 107849069
N-[3-(ethylamino)propyl]-4-fluorobenzenesulfonamide
CID 43606529
N-(3-cyanopropyl)-4-fluorobenzenesulfonamide
CID 62668481
4-fluoro-N-(4-iodobutyl)-2-methylbenzenesulfonamide
CID 106846623
3-chloro-N-(5-iodopentyl)benzenesulfonamide
CID 107322870
4-methyl-N-[10-[(4-methylphenyl)sulfonylamino]decyl]benzenesulfonamide
CID 12715316
4-bromo-N-[8-[(4-bromophenyl)sulfonylamino]octyl]benzenesulfonamide
CID 3544635

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(5-iodopentyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-(5-iodopentyl)benzenesulfonamide (CID 107322828) is 4-fluoro-N-(5-iodopentyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(5-iodopentyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(5-iodopentyl)benzenesulfonamide is O=S(=O)(NCCCCCI)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(5-iodopentyl)benzenesulfonamide?
The InChIKey is XVDRYIMPWLXJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FINO2S/c12-10-4-6-11(7-5-10)17(15,16)14-9-3-1-2-8-13/h4-7,14H,1-3,8-9H2.
What are the key properties of 4-fluoro-N-(5-iodopentyl)benzenesulfonamide?
4-fluoro-N-(5-iodopentyl)benzenesulfonamide has a molecular weight of 371.22 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(5-iodopentyl)benzenesulfonamide is sourced from PubChem (CID 107322828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).