2,5-dichloro-N-(2-fluoro-4-iodophenyl)benzenesulfonamide

C12H7Cl2FINO2S — CID 3776301

IUPAC2,5-dichloro-N-(2-fluoro-4-iodophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(I)cc1F)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H7Cl2FINO2S/c13-7-1-3-9(14)12(5-7)20(18,19)17-11-4-2-8(16)6-10(11)15/h1-6,17H
InChIKeyBKZQOGAXMSHKCU-UHFFFAOYSA-N
MW446.07 g/mol
LogP4.54
Rot. Bonds3

About 2,5-dichloro-N-(2-fluoro-4-iodophenyl)benzenesulfonamide

2,5-dichloro-N-(2-fluoro-4-iodophenyl)benzenesulfonamide (PubChem CID 3776301) has the molecular formula C12H7Cl2FINO2S and a molecular weight of 446.07 g/mol. Its IUPAC name is 2,5-dichloro-N-(2-fluoro-4-iodophenyl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-(2-fluoro-4-iodophenyl)benzenesulfonamide
PubChem CID3776301
Molecular FormulaC12H7Cl2FINO2S
Molecular Weight446.07 g/mol
Exact Mass444.86
IUPAC Name2,5-dichloro-N-(2-fluoro-4-iodophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(I)cc1F)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H7Cl2FINO2S/c13-7-1-3-9(14)12(5-7)20(18,19)17-11-4-2-8(16)6-10(11)15/h1-6,17H
InChIKeyBKZQOGAXMSHKCU-UHFFFAOYSA-N
XLogP4.54
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.07
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,5-dichloro-N-(2,4-difluorophenyl)benzenesulfonamide
CID 3702583
2,5-dichloro-N-(2-chloro-4-fluorophenyl)benzenesulfonamide
CID 26969901
2,4-difluoro-N-(2-fluoro-4-iodophenyl)benzenesulfonamide
CID 3263400
N-(2-bromo-4-fluorophenyl)-2,5-dichlorobenzenesulfonamide
CID 3701608
N-(2-bromo-4-chlorophenyl)-2,5-dichlorobenzenesulfonamide
CID 81273911
4-chloro-2-fluoro-N-(4-iodo-2-methylphenyl)benzenesulfonamide
CID 47104375
4-chloro-N-(2,4-difluorophenyl)-2-fluorobenzenesulfonamide
CID 4968602
5-(aminomethyl)-2-chloro-N-(2-chloro-4-iodophenyl)benzenesulfonamide
CID 106006581
5-chloro-2-fluoro-N-(2-fluorophenyl)benzenesulfonamide
CID 110759379
N-(2-aminophenyl)-2,5-dichlorobenzenesulfonamide
CID 43344025
2,5-dichloro-N-(2,5-dichlorophenyl)sulfonylbenzenesulfonamide
CID 121010955
N-(2-amino-4-hydroxyphenyl)-2,5-dichlorobenzenesulfonamide
CID 107697838

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(2-fluoro-4-iodophenyl)benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-(2-fluoro-4-iodophenyl)benzenesulfonamide (CID 3776301) is 2,5-dichloro-N-(2-fluoro-4-iodophenyl)benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-(2-fluoro-4-iodophenyl)benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-(2-fluoro-4-iodophenyl)benzenesulfonamide is O=S(=O)(Nc1ccc(I)cc1F)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-(2-fluoro-4-iodophenyl)benzenesulfonamide?
The InChIKey is BKZQOGAXMSHKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2FINO2S/c13-7-1-3-9(14)12(5-7)20(18,19)17-11-4-2-8(16)6-10(11)15/h1-6,17H.
What are the key properties of 2,5-dichloro-N-(2-fluoro-4-iodophenyl)benzenesulfonamide?
2,5-dichloro-N-(2-fluoro-4-iodophenyl)benzenesulfonamide has a molecular weight of 446.07 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(2-fluoro-4-iodophenyl)benzenesulfonamide is sourced from PubChem (CID 3776301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).