2-bromo-4-fluoro-N-(4-iodophenyl)benzenesulfonamide

C12H8BrFINO2S — CID 47203987

IUPAC2-bromo-4-fluoro-N-(4-iodophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(I)cc1)c1ccc(F)cc1Br
InChIInChI=1S/C12H8BrFINO2S/c13-11-7-8(14)1-6-12(11)19(17,18)16-10-4-2-9(15)3-5-10/h1-7,16H
InChIKeySLJRPVBUVCYXRM-UHFFFAOYSA-N
MW456.07 g/mol
LogP3.99
Rot. Bonds3

About 2-bromo-4-fluoro-N-(4-iodophenyl)benzenesulfonamide

2-bromo-4-fluoro-N-(4-iodophenyl)benzenesulfonamide (PubChem CID 47203987) has the molecular formula C12H8BrFINO2S and a molecular weight of 456.07 g/mol. Its IUPAC name is 2-bromo-4-fluoro-N-(4-iodophenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-4-fluoro-N-(4-iodophenyl)benzenesulfonamide
PubChem CID47203987
Molecular FormulaC12H8BrFINO2S
Molecular Weight456.07 g/mol
Exact Mass454.85
IUPAC Name2-bromo-4-fluoro-N-(4-iodophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(I)cc1)c1ccc(F)cc1Br
InChIInChI=1S/C12H8BrFINO2S/c13-11-7-8(14)1-6-12(11)19(17,18)16-10-4-2-9(15)3-5-10/h1-7,16H
InChIKeySLJRPVBUVCYXRM-UHFFFAOYSA-N
XLogP3.99
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.07
LogP ≤ 53.99
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-bromo-4-fluoro-N-pyridin-4-ylbenzenesulfonamide
CID 60823438
2-bromo-4-fluoro-N-(4-fluoro-3-methylphenyl)benzenesulfonamide
CID 62811743
2-bromo-4-fluoro-N-(3-fluorophenyl)benzenesulfonamide
CID 47257466
2-bromo-4-fluoro-N-[4-(2-hydroxyethyl)phenyl]benzenesulfonamide
CID 61221276
N-(6-amino-3-pyridinyl)-2-bromo-4-fluorobenzenesulfonamide
CID 60824210
2-bromo-4-fluoro-N-thiophen-3-ylbenzenesulfonamide
CID 66355037
2-amino-5-fluoro-N-(4-iodophenyl)benzenesulfonamide
CID 54888611
2-bromo-4-fluoro-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 78955831
2-bromo-N-[4-[(2-bromo-4-fluorophenyl)sulfonylamino]naphthalen-1-yl]-4-fluorobenzenesulfonamide
CID 154653254
2-bromo-N-(4-bromo-2-fluorophenyl)-4-fluorobenzenesulfonamide
CID 47257455
2-bromo-4-fluoro-N-(1H-indazol-5-yl)benzenesulfonamide
CID 61061401
2,5-dibromo-N-(4-iodophenyl)-4-methylbenzenesulfonamide
CID 81327829

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-N-(4-iodophenyl)benzenesulfonamide?
The IUPAC name of 2-bromo-4-fluoro-N-(4-iodophenyl)benzenesulfonamide (CID 47203987) is 2-bromo-4-fluoro-N-(4-iodophenyl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-4-fluoro-N-(4-iodophenyl)benzenesulfonamide?
The canonical SMILES for 2-bromo-4-fluoro-N-(4-iodophenyl)benzenesulfonamide is O=S(=O)(Nc1ccc(I)cc1)c1ccc(F)cc1Br.
What is the InChIKey of 2-bromo-4-fluoro-N-(4-iodophenyl)benzenesulfonamide?
The InChIKey is SLJRPVBUVCYXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrFINO2S/c13-11-7-8(14)1-6-12(11)19(17,18)16-10-4-2-9(15)3-5-10/h1-7,16H.
What are the key properties of 2-bromo-4-fluoro-N-(4-iodophenyl)benzenesulfonamide?
2-bromo-4-fluoro-N-(4-iodophenyl)benzenesulfonamide has a molecular weight of 456.07 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-N-(4-iodophenyl)benzenesulfonamide is sourced from PubChem (CID 47203987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).