4-bromo-3-chloro-2-iodobenzenesulfonamide

C6H4BrClINO2S — CID 171000259

IUPAC4-bromo-3-chloro-2-iodobenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Br)c(Cl)c1I
InChIInChI=1S/C6H4BrClINO2S/c7-3-1-2-4(13(10,11)12)6(9)5(3)8/h1-2H,(H2,10,11,12)
InChIKeyKSZAAAFANOWEGF-UHFFFAOYSA-N
MW396.43 g/mol
LogP2.35
Rot. Bonds1

About 4-bromo-3-chloro-2-iodobenzenesulfonamide

4-bromo-3-chloro-2-iodobenzenesulfonamide (PubChem CID 171000259) has the molecular formula C6H4BrClINO2S and a molecular weight of 396.43 g/mol. Its IUPAC name is 4-bromo-3-chloro-2-iodobenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-3-chloro-2-iodobenzenesulfonamide
PubChem CID171000259
Molecular FormulaC6H4BrClINO2S
Molecular Weight396.43 g/mol
Exact Mass394.79
IUPAC Name4-bromo-3-chloro-2-iodobenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Br)c(Cl)c1I
InChIInChI=1S/C6H4BrClINO2S/c7-3-1-2-4(13(10,11)12)6(9)5(3)8/h1-2H,(H2,10,11,12)
InChIKeyKSZAAAFANOWEGF-UHFFFAOYSA-N
XLogP2.35
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.43
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-chloro-2-iodobenzenesulfonamide?
The IUPAC name of 4-bromo-3-chloro-2-iodobenzenesulfonamide (CID 171000259) is 4-bromo-3-chloro-2-iodobenzenesulfonamide.
What is the SMILES notation for 4-bromo-3-chloro-2-iodobenzenesulfonamide?
The canonical SMILES for 4-bromo-3-chloro-2-iodobenzenesulfonamide is NS(=O)(=O)c1ccc(Br)c(Cl)c1I.
What is the InChIKey of 4-bromo-3-chloro-2-iodobenzenesulfonamide?
The InChIKey is KSZAAAFANOWEGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrClINO2S/c7-3-1-2-4(13(10,11)12)6(9)5(3)8/h1-2H,(H2,10,11,12).
What are the key properties of 4-bromo-3-chloro-2-iodobenzenesulfonamide?
4-bromo-3-chloro-2-iodobenzenesulfonamide has a molecular weight of 396.43 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-chloro-2-iodobenzenesulfonamide is sourced from PubChem (CID 171000259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).