2,4-dibromo-N-(3-iodophenyl)benzenesulfonamide

C12H8Br2INO2S — CID 60823302

IUPAC2,4-dibromo-N-(3-iodophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(I)c1)c1ccc(Br)cc1Br
InChIInChI=1S/C12H8Br2INO2S/c13-8-4-5-12(11(14)6-8)19(17,18)16-10-3-1-2-9(15)7-10/h1-7,16H
InChIKeyDLPZSSZUFNOLJD-UHFFFAOYSA-N
MW516.98 g/mol
LogP4.62
Rot. Bonds3

About 2,4-dibromo-N-(3-iodophenyl)benzenesulfonamide

2,4-dibromo-N-(3-iodophenyl)benzenesulfonamide (PubChem CID 60823302) has the molecular formula C12H8Br2INO2S and a molecular weight of 516.98 g/mol. Its IUPAC name is 2,4-dibromo-N-(3-iodophenyl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-dibromo-N-(3-iodophenyl)benzenesulfonamide
PubChem CID60823302
Molecular FormulaC12H8Br2INO2S
Molecular Weight516.98 g/mol
Exact Mass514.77
IUPAC Name2,4-dibromo-N-(3-iodophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(I)c1)c1ccc(Br)cc1Br
InChIInChI=1S/C12H8Br2INO2S/c13-8-4-5-12(11(14)6-8)19(17,18)16-10-3-1-2-9(15)7-10/h1-7,16H
InChIKeyDLPZSSZUFNOLJD-UHFFFAOYSA-N
XLogP4.62
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.98
LogP ≤ 54.62
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

4-bromo-2-chloro-N-(3-iodophenyl)benzenesulfonamide
CID 60640731
2,4-dibromo-N-(3-methylphenyl)benzenesulfonamide
CID 47257416
2-amino-5-bromo-N-(3-iodophenyl)benzenesulfonamide
CID 54888660
2,4-dibromo-N-pyridin-4-ylbenzenesulfonamide
CID 60823437
N-[3-(aminomethyl)phenyl]-2,4-dibromobenzenesulfonamide
CID 63254135
6-bromo-N-(3-iodophenyl)-2,3-dihydro-1,4-benzodioxine-7-sulfonamide
CID 60605016
2,4-dibromo-N-(3-ethoxyphenyl)benzenesulfonamide
CID 61062492
2,4-dibromo-N-(3-bromo-4-methylphenyl)benzenesulfonamide
CID 63421623
2-amino-5-bromo-N-(3-iodophenyl)pyridine-3-sulfonamide
CID 55043820
2,4-dibromo-N-(4-cyanophenyl)benzenesulfonamide
CID 47257475
2-bromo-4-fluoro-N-(3-fluorophenyl)benzenesulfonamide
CID 47257466
2,4-dibromo-N-(2,6-dichlorophenyl)benzenesulfonamide
CID 61216757

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-(3-iodophenyl)benzenesulfonamide?
The IUPAC name of 2,4-dibromo-N-(3-iodophenyl)benzenesulfonamide (CID 60823302) is 2,4-dibromo-N-(3-iodophenyl)benzenesulfonamide.
What is the SMILES notation for 2,4-dibromo-N-(3-iodophenyl)benzenesulfonamide?
The canonical SMILES for 2,4-dibromo-N-(3-iodophenyl)benzenesulfonamide is O=S(=O)(Nc1cccc(I)c1)c1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-N-(3-iodophenyl)benzenesulfonamide?
The InChIKey is DLPZSSZUFNOLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Br2INO2S/c13-8-4-5-12(11(14)6-8)19(17,18)16-10-3-1-2-9(15)7-10/h1-7,16H.
What are the key properties of 2,4-dibromo-N-(3-iodophenyl)benzenesulfonamide?
2,4-dibromo-N-(3-iodophenyl)benzenesulfonamide has a molecular weight of 516.98 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-(3-iodophenyl)benzenesulfonamide is sourced from PubChem (CID 60823302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).