4-fluoro-N-(4-iodobutyl)-2-methylbenzenesulfonamide

C11H15FINO2S — CID 106846623

IUPAC4-fluoro-N-(4-iodobutyl)-2-methylbenzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)NCCCCI
InChIInChI=1S/C11H15FINO2S/c1-9-8-10(12)4-5-11(9)17(15,16)14-7-3-2-6-13/h4-5,8,14H,2-3,6-7H2,1H3
InChIKeyDFHRKXUEZDDXJL-UHFFFAOYSA-N
MW371.22 g/mol
LogP2.63
Rot. Bonds6

About 4-fluoro-N-(4-iodobutyl)-2-methylbenzenesulfonamide

4-fluoro-N-(4-iodobutyl)-2-methylbenzenesulfonamide (PubChem CID 106846623) has the molecular formula C11H15FINO2S and a molecular weight of 371.22 g/mol. Its IUPAC name is 4-fluoro-N-(4-iodobutyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(4-iodobutyl)-2-methylbenzenesulfonamide
PubChem CID106846623
Molecular FormulaC11H15FINO2S
Molecular Weight371.22 g/mol
Exact Mass370.99
IUPAC Name4-fluoro-N-(4-iodobutyl)-2-methylbenzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)NCCCCI
InChIInChI=1S/C11H15FINO2S/c1-9-8-10(12)4-5-11(9)17(15,16)14-7-3-2-6-13/h4-5,8,14H,2-3,6-7H2,1H3
InChIKeyDFHRKXUEZDDXJL-UHFFFAOYSA-N
XLogP2.63
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.22
LogP ≤ 52.63
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

N-(6-chlorohexyl)-4-fluoro-2-methylbenzenesulfonamide
CID 114008823
2-chloro-5-fluoro-N-(6-iodohexyl)benzenesulfonamide
CID 107849069
N-(3-azidopropyl)-4-fluoro-2-methylbenzenesulfonamide
CID 61343636
4-fluoro-2-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide
CID 62663350
4-[(4-fluoro-2-methylphenyl)sulfonylamino]-N'-hydroxybutanimidamide
CID 55102606
4-fluoro-2-methyl-N-[3-(3-methylphenyl)propyl]benzenesulfonamide
CID 84505251
N-(2-tert-butylsulfanylethyl)-4-fluoro-2-methylbenzenesulfonamide
CID 95177267
4-fluoro-2-methyl-N-[3-(N-methylanilino)propyl]benzenesulfonamide
CID 46534961
4-fluoro-2-methyl-N-[2-(phenylsulfamoyl)ethyl]benzenesulfonamide
CID 110408299
4-fluoro-N-(5-iodopentyl)benzenesulfonamide
CID 107322828
N-(3-iodopropyl)-2-methylbenzenesulfonamide
CID 114504608
N-(3-bromopropyl)-5-fluoro-2-methylbenzenesulfonamide
CID 43167190

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(4-iodobutyl)-2-methylbenzenesulfonamide?
The IUPAC name of 4-fluoro-N-(4-iodobutyl)-2-methylbenzenesulfonamide (CID 106846623) is 4-fluoro-N-(4-iodobutyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(4-iodobutyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(4-iodobutyl)-2-methylbenzenesulfonamide is Cc1cc(F)ccc1S(=O)(=O)NCCCCI.
What is the InChIKey of 4-fluoro-N-(4-iodobutyl)-2-methylbenzenesulfonamide?
The InChIKey is DFHRKXUEZDDXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FINO2S/c1-9-8-10(12)4-5-11(9)17(15,16)14-7-3-2-6-13/h4-5,8,14H,2-3,6-7H2,1H3.
What are the key properties of 4-fluoro-N-(4-iodobutyl)-2-methylbenzenesulfonamide?
4-fluoro-N-(4-iodobutyl)-2-methylbenzenesulfonamide has a molecular weight of 371.22 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(4-iodobutyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 106846623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).