4-bromo-N-(phenyl-λ3-iodanylidene)benzenesulfonamide

C12H9BrINO2S — CID 15325025

IUPAC4-bromo-N-(phenyl-λ3-iodanylidene)benzenesulfonamide
SMILESO=S(=O)(/N=I/c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C12H9BrINO2S/c13-10-6-8-12(9-7-10)18(16,17)15-14-11-4-2-1-3-5-11/h1-9H
InChIKeyCRPQIQZWJQVCEG-UHFFFAOYSA-N
MW438.08 g/mol
LogP4.16
Rot. Bonds3

About 4-bromo-N-(phenyl-λ3-iodanylidene)benzenesulfonamide

4-bromo-N-(phenyl-λ3-iodanylidene)benzenesulfonamide (PubChem CID 15325025) has the molecular formula C12H9BrINO2S and a molecular weight of 438.08 g/mol. Its IUPAC name is 4-bromo-N-(phenyl-λ3-iodanylidene)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(phenyl-λ3-iodanylidene)benzenesulfonamide
PubChem CID15325025
Molecular FormulaC12H9BrINO2S
Molecular Weight438.08 g/mol
Exact Mass436.86
IUPAC Name4-bromo-N-(phenyl-λ3-iodanylidene)benzenesulfonamide
SMILESO=S(=O)(/N=I/c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C12H9BrINO2S/c13-10-6-8-12(9-7-10)18(16,17)15-14-11-4-2-1-3-5-11/h1-9H
InChIKeyCRPQIQZWJQVCEG-UHFFFAOYSA-N
XLogP4.16
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.08
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[acetyloxy(phenyl)-λ3-iodanyl] acetate;methanol;4-methyl-N-(phenyl-λ3-iodanylidene)benzenesulfonamide
CID 160967172
CID 12648432
CID 12648432
N'-(4-bromophenyl)sulfonyl-N-(2-iodophenyl)benzenecarboximidamide
CID 46368553
4-bromo-N-(1-methyl-2-pyridinylidene)benzenesulfonamide
CID 131887487
4-bromo-N-[(Z)-[(2S)-2-phenylpropylidene]amino]benzenesulfonamide
CID 7923211
4-bromo-N-phenyl-N-propan-2-ylbenzenesulfonamide
CID 56541765
N-[[(S)-(4-bromophenyl)-fluoromethyl]-oxo-phenyl-λ6-sulfanylidene]benzenesulfonamide
CID 98085804
(3-methylphenyl) (E)-N-(4-bromophenyl)sulfonylbenzenecarboximidothioate
CID 5436294
N-(3-acetylphenyl)-N'-(4-bromophenyl)sulfonylbenzenecarboximidamide
CID 5047314
N-(4-bromophenyl)-N-methylbenzenesulfonamide
CID 5171346
4-bromobenzenesulfonyl chloride
CID 174561770
barium(2+);bis(4-bromobenzenesulfonate)
CID 139842323

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(phenyl-λ3-iodanylidene)benzenesulfonamide?
The IUPAC name of 4-bromo-N-(phenyl-λ3-iodanylidene)benzenesulfonamide (CID 15325025) is 4-bromo-N-(phenyl-λ3-iodanylidene)benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(phenyl-λ3-iodanylidene)benzenesulfonamide?
The canonical SMILES for 4-bromo-N-(phenyl-λ3-iodanylidene)benzenesulfonamide is O=S(=O)(/N=I/c1ccccc1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(phenyl-λ3-iodanylidene)benzenesulfonamide?
The InChIKey is CRPQIQZWJQVCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrINO2S/c13-10-6-8-12(9-7-10)18(16,17)15-14-11-4-2-1-3-5-11/h1-9H.
What are the key properties of 4-bromo-N-(phenyl-λ3-iodanylidene)benzenesulfonamide?
4-bromo-N-(phenyl-λ3-iodanylidene)benzenesulfonamide has a molecular weight of 438.08 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(phenyl-λ3-iodanylidene)benzenesulfonamide is sourced from PubChem (CID 15325025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).