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

C13H10BrFINO2S — CID 79771301

IUPAC4-(bromomethyl)-N-(4-fluoro-2-iodophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(F)cc1I)c1ccc(CBr)cc1
InChIInChI=1S/C13H10BrFINO2S/c14-8-9-1-4-11(5-2-9)20(18,19)17-13-6-3-10(15)7-12(13)16/h1-7,17H,8H2
InChIKeyHUJORMDKFBNRMY-UHFFFAOYSA-N
MW470.10 g/mol
LogP4.13
Rot. Bonds4

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

4-(bromomethyl)-N-(4-fluoro-2-iodophenyl)benzenesulfonamide (PubChem CID 79771301) has the molecular formula C13H10BrFINO2S and a molecular weight of 470.10 g/mol. Its IUPAC name is 4-(bromomethyl)-N-(4-fluoro-2-iodophenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(bromomethyl)-N-(4-fluoro-2-iodophenyl)benzenesulfonamide
PubChem CID79771301
Molecular FormulaC13H10BrFINO2S
Molecular Weight470.10 g/mol
Exact Mass468.86
IUPAC Name4-(bromomethyl)-N-(4-fluoro-2-iodophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(F)cc1I)c1ccc(CBr)cc1
InChIInChI=1S/C13H10BrFINO2S/c14-8-9-1-4-11(5-2-9)20(18,19)17-13-6-3-10(15)7-12(13)16/h1-7,17H,8H2
InChIKeyHUJORMDKFBNRMY-UHFFFAOYSA-N
XLogP4.13
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.10
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(bromomethyl)-N-(4-fluoro-2-iodophenyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(bromomethyl)-N-(2,4-difluorophenyl)benzenesulfonamide
CID 65481199
4-(bromomethyl)-N-(4-chloro-2-iodophenyl)benzenesulfonamide
CID 107629608
N-[4-(bromomethyl)phenyl]-4-fluorobenzenesulfonamide
CID 18629013
3,4-difluoro-N-(4-fluoro-2-iodophenyl)benzenesulfonamide
CID 79766974
N-(4-fluoro-2-iodophenyl)-4-(1-hydroxyethyl)benzenesulfonamide
CID 79760758
4-(bromomethyl)-N-(2-fluoro-4-methylphenyl)benzenesulfonamide
CID 65480207
3-amino-N-(4-fluoro-2-iodophenyl)benzenesulfonamide
CID 79768613
2-(ethylamino)-N-(4-fluoro-2-iodophenyl)pyrimidine-5-sulfonamide
CID 79762345
N-[4-(bromomethyl)phenyl]-3-fluorobenzenesulfonamide
CID 114296663
4-(bromomethyl)-N-(3,4,5-trifluorophenyl)benzenesulfonamide
CID 65482623
4-(bromomethyl)-N-(2-methoxyphenyl)benzenesulfonamide
CID 65481190
4-(bromomethyl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 57017783

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-N-(4-fluoro-2-iodophenyl)benzenesulfonamide?
The IUPAC name of 4-(bromomethyl)-N-(4-fluoro-2-iodophenyl)benzenesulfonamide (CID 79771301) is 4-(bromomethyl)-N-(4-fluoro-2-iodophenyl)benzenesulfonamide.
What is the SMILES notation for 4-(bromomethyl)-N-(4-fluoro-2-iodophenyl)benzenesulfonamide?
The canonical SMILES for 4-(bromomethyl)-N-(4-fluoro-2-iodophenyl)benzenesulfonamide is O=S(=O)(Nc1ccc(F)cc1I)c1ccc(CBr)cc1.
What is the InChIKey of 4-(bromomethyl)-N-(4-fluoro-2-iodophenyl)benzenesulfonamide?
The InChIKey is HUJORMDKFBNRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrFINO2S/c14-8-9-1-4-11(5-2-9)20(18,19)17-13-6-3-10(15)7-12(13)16/h1-7,17H,8H2.
What are the key properties of 4-(bromomethyl)-N-(4-fluoro-2-iodophenyl)benzenesulfonamide?
4-(bromomethyl)-N-(4-fluoro-2-iodophenyl)benzenesulfonamide has a molecular weight of 470.10 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-N-(4-fluoro-2-iodophenyl)benzenesulfonamide is sourced from PubChem (CID 79771301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).