4-(bromomethyl)-N-(2,4-difluorophenyl)benzenesulfonamide

C13H10BrF2NO2S — CID 65481199

IUPAC4-(bromomethyl)-N-(2,4-difluorophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(F)cc1F)c1ccc(CBr)cc1
InChIInChI=1S/C13H10BrF2NO2S/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
InChIKeyGQVBQBRXNXTFNR-UHFFFAOYSA-N
MW362.20 g/mol
LogP3.66
Rot. Bonds4

About 4-(bromomethyl)-N-(2,4-difluorophenyl)benzenesulfonamide

4-(bromomethyl)-N-(2,4-difluorophenyl)benzenesulfonamide (PubChem CID 65481199) has the molecular formula C13H10BrF2NO2S and a molecular weight of 362.20 g/mol. Its IUPAC name is 4-(bromomethyl)-N-(2,4-difluorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(bromomethyl)-N-(2,4-difluorophenyl)benzenesulfonamide
PubChem CID65481199
Molecular FormulaC13H10BrF2NO2S
Molecular Weight362.20 g/mol
Exact Mass360.96
IUPAC Name4-(bromomethyl)-N-(2,4-difluorophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(F)cc1F)c1ccc(CBr)cc1
InChIInChI=1S/C13H10BrF2NO2S/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
InChIKeyGQVBQBRXNXTFNR-UHFFFAOYSA-N
XLogP3.66
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.20
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(bromomethyl)-N-(4-fluoro-2-iodophenyl)benzenesulfonamide
CID 79771301
4-(bromomethyl)-N-(2-fluoro-4-methylphenyl)benzenesulfonamide
CID 65480207
N-[4-(bromomethyl)phenyl]-4-fluorobenzenesulfonamide
CID 18629013
N-[2-[4-[(2,4-difluorophenyl)sulfamoyl]phenyl]ethyl]acetamide
CID 94618454
4-(bromomethyl)-N-(3,4,5-trifluorophenyl)benzenesulfonamide
CID 65482623
N-(2,4-difluorophenyl)-4-(2-methylbutan-2-yl)benzenesulfonamide
CID 3314659
4-(bromomethyl)-N-(4-chloro-2-iodophenyl)benzenesulfonamide
CID 107629608
N-(2,4-difluorophenyl)-2,4-difluorobenzenesulfonamide
CID 3312178
4-(bromomethyl)-N-(2-methoxyphenyl)benzenesulfonamide
CID 65481190
N-(4-bromo-2-fluorophenyl)-4-(cyanomethyl)benzenesulfonamide
CID 79186703
4-(bromomethyl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 57017783
4-(bromomethyl)-N-(3-fluoro-4-hydroxyphenyl)benzenesulfonamide
CID 65480451

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-N-(2,4-difluorophenyl)benzenesulfonamide?
The IUPAC name of 4-(bromomethyl)-N-(2,4-difluorophenyl)benzenesulfonamide (CID 65481199) is 4-(bromomethyl)-N-(2,4-difluorophenyl)benzenesulfonamide.
What is the SMILES notation for 4-(bromomethyl)-N-(2,4-difluorophenyl)benzenesulfonamide?
The canonical SMILES for 4-(bromomethyl)-N-(2,4-difluorophenyl)benzenesulfonamide is O=S(=O)(Nc1ccc(F)cc1F)c1ccc(CBr)cc1.
What is the InChIKey of 4-(bromomethyl)-N-(2,4-difluorophenyl)benzenesulfonamide?
The InChIKey is GQVBQBRXNXTFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrF2NO2S/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-(2,4-difluorophenyl)benzenesulfonamide?
4-(bromomethyl)-N-(2,4-difluorophenyl)benzenesulfonamide has a molecular weight of 362.20 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-N-(2,4-difluorophenyl)benzenesulfonamide is sourced from PubChem (CID 65481199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).