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

C13H10BrClINO2S — CID 107629608

IUPAC4-(bromomethyl)-N-(4-chloro-2-iodophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)cc1I)c1ccc(CBr)cc1
InChIInChI=1S/C13H10BrClINO2S/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
InChIKeyFIKNRNZFQIUKTJ-UHFFFAOYSA-N
MW486.56 g/mol
LogP4.64
Rot. Bonds4

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

4-(bromomethyl)-N-(4-chloro-2-iodophenyl)benzenesulfonamide (PubChem CID 107629608) has the molecular formula C13H10BrClINO2S and a molecular weight of 486.56 g/mol. Its IUPAC name is 4-(bromomethyl)-N-(4-chloro-2-iodophenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(bromomethyl)-N-(4-chloro-2-iodophenyl)benzenesulfonamide
PubChem CID107629608
Molecular FormulaC13H10BrClINO2S
Molecular Weight486.56 g/mol
Exact Mass484.83
IUPAC Name4-(bromomethyl)-N-(4-chloro-2-iodophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)cc1I)c1ccc(CBr)cc1
InChIInChI=1S/C13H10BrClINO2S/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
InChIKeyFIKNRNZFQIUKTJ-UHFFFAOYSA-N
XLogP4.64
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.56
LogP ≤ 54.64
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'}

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Related Compounds

4-(bromomethyl)-N-(4-fluoro-2-iodophenyl)benzenesulfonamide
CID 79771301
N-(4-chloro-2-iodophenyl)-4-methoxybenzenesulfonamide
CID 103764001
4-acetyl-N-(4-chloro-2-iodophenyl)benzenesulfonamide
CID 103763982
4-amino-N-(4-chloro-2-iodophenyl)-3-methylbenzenesulfonamide
CID 107624554
4-(bromomethyl)-N-(2,4-difluorophenyl)benzenesulfonamide
CID 65481199
N-(4-bromo-2,3-dichlorophenyl)-4-(bromomethyl)benzenesulfonamide
CID 107792813
4-(bromomethyl)-N-(2-fluoro-4-methylphenyl)benzenesulfonamide
CID 65480207
N-(4-chloro-2-iodophenyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107626835
N-(4-chloro-2-iodophenyl)-2-(methylamino)pyrimidine-5-sulfonamide
CID 107630680
N-(4-chloro-2-iodophenyl)-5-fluoropyridine-3-sulfonamide
CID 103763977
4-tert-butylbenzenesulfonyl chloride;4-tert-butyl-N-(4-chloro-2-iodophenyl)benzenesulfonamide;4-chloro-2-iodoaniline
CID 159766624
4-(bromomethyl)-N-(2-bromophenyl)benzenesulfonamide
CID 65480204

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-N-(4-chloro-2-iodophenyl)benzenesulfonamide?
The IUPAC name of 4-(bromomethyl)-N-(4-chloro-2-iodophenyl)benzenesulfonamide (CID 107629608) is 4-(bromomethyl)-N-(4-chloro-2-iodophenyl)benzenesulfonamide.
What is the SMILES notation for 4-(bromomethyl)-N-(4-chloro-2-iodophenyl)benzenesulfonamide?
The canonical SMILES for 4-(bromomethyl)-N-(4-chloro-2-iodophenyl)benzenesulfonamide is O=S(=O)(Nc1ccc(Cl)cc1I)c1ccc(CBr)cc1.
What is the InChIKey of 4-(bromomethyl)-N-(4-chloro-2-iodophenyl)benzenesulfonamide?
The InChIKey is FIKNRNZFQIUKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClINO2S/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-chloro-2-iodophenyl)benzenesulfonamide?
4-(bromomethyl)-N-(4-chloro-2-iodophenyl)benzenesulfonamide has a molecular weight of 486.56 g/mol, XLogP of 4.64, 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-chloro-2-iodophenyl)benzenesulfonamide is sourced from PubChem (CID 107629608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).