2-(bromomethyl)-5-fluorobenzenesulfonamide

C7H7BrFNO2S — CID 21069830

IUPAC2-(bromomethyl)-5-fluorobenzenesulfonamide
SMILESNS(=O)(=O)c1cc(F)ccc1CBr
InChIInChI=1S/C7H7BrFNO2S/c8-4-5-1-2-6(9)3-7(5)13(10,11)12/h1-3H,4H2,(H2,10,11,12)
InChIKeyDVCLLQJMNORHPN-UHFFFAOYSA-N
MW268.11 g/mol
LogP1.37
Rot. Bonds2

About 2-(bromomethyl)-5-fluorobenzenesulfonamide

2-(bromomethyl)-5-fluorobenzenesulfonamide (PubChem CID 21069830) has the molecular formula C7H7BrFNO2S and a molecular weight of 268.11 g/mol. Its IUPAC name is 2-(bromomethyl)-5-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-(bromomethyl)-5-fluorobenzenesulfonamide
PubChem CID21069830
Molecular FormulaC7H7BrFNO2S
Molecular Weight268.11 g/mol
Exact Mass266.94
IUPAC Name2-(bromomethyl)-5-fluorobenzenesulfonamide
SMILESNS(=O)(=O)c1cc(F)ccc1CBr
InChIInChI=1S/C7H7BrFNO2S/c8-4-5-1-2-6(9)3-7(5)13(10,11)12/h1-3H,4H2,(H2,10,11,12)
InChIKeyDVCLLQJMNORHPN-UHFFFAOYSA-N
XLogP1.37
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.11
LogP ≤ 51.37
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

1-(bromomethyl)-4-fluoro-2-methylsulfonylbenzene
CID 58836824
5-fluoro-2-(propylaminomethyl)benzenesulfonamide
CID 102920511
2-(5-fluoro-2-sulfamoylphenyl)acetic acid
CID 141356629
5-fluoro-2-(3-fluoropropoxy)benzenesulfonamide
CID 81113508
4-fluoro-2-iodobenzenesulfonamide
CID 112729762
4-fluoro-2-(methoxymethyl)benzenesulfonamide
CID 83271454
1-bromo-4-fluoro-2-[(sulfamoylamino)methyl]benzene
CID 112686127
2-(3,3-dimethylbutoxy)-5-fluorobenzenesulfonamide
CID 62105180
5-amino-2-[(3-fluorophenyl)methyl]benzenesulfonamide
CID 142402108
1-(bromomethyl)-2-(4-fluorophenyl)sulfonylbenzene
CID 68626123
2-(aminomethyl)-N-(2,6-dibromophenyl)-5-fluorobenzenesulfonamide
CID 106088872
5-fluoro-2-(3-methylbut-3-enoxy)benzenesulfonamide
CID 114473030

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-5-fluorobenzenesulfonamide?
The IUPAC name of 2-(bromomethyl)-5-fluorobenzenesulfonamide (CID 21069830) is 2-(bromomethyl)-5-fluorobenzenesulfonamide.
What is the SMILES notation for 2-(bromomethyl)-5-fluorobenzenesulfonamide?
The canonical SMILES for 2-(bromomethyl)-5-fluorobenzenesulfonamide is NS(=O)(=O)c1cc(F)ccc1CBr.
What is the InChIKey of 2-(bromomethyl)-5-fluorobenzenesulfonamide?
The InChIKey is DVCLLQJMNORHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrFNO2S/c8-4-5-1-2-6(9)3-7(5)13(10,11)12/h1-3H,4H2,(H2,10,11,12).
What are the key properties of 2-(bromomethyl)-5-fluorobenzenesulfonamide?
2-(bromomethyl)-5-fluorobenzenesulfonamide has a molecular weight of 268.11 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-5-fluorobenzenesulfonamide is sourced from PubChem (CID 21069830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).