1-bromo-N-(2-bromo-5-fluorophenyl)methanesulfonamide

C7H6Br2FNO2S — CID 107629618

IUPAC1-bromo-N-(2-bromo-5-fluorophenyl)methanesulfonamide
SMILESO=S(=O)(CBr)Nc1cc(F)ccc1Br
InChIInChI=1S/C7H6Br2FNO2S/c8-4-14(12,13)11-7-3-5(10)1-2-6(7)9/h1-3,11H,4H2
InChIKeyPTISGPLTNJWVFH-UHFFFAOYSA-N
MW347.00 g/mol
LogP2.68
Rot. Bonds3

About 1-bromo-N-(2-bromo-5-fluorophenyl)methanesulfonamide

1-bromo-N-(2-bromo-5-fluorophenyl)methanesulfonamide (PubChem CID 107629618) has the molecular formula C7H6Br2FNO2S and a molecular weight of 347.00 g/mol. Its IUPAC name is 1-bromo-N-(2-bromo-5-fluorophenyl)methanesulfonamide.

Molecular Properties

Compound Name1-bromo-N-(2-bromo-5-fluorophenyl)methanesulfonamide
PubChem CID107629618
Molecular FormulaC7H6Br2FNO2S
Molecular Weight347.00 g/mol
Exact Mass344.85
IUPAC Name1-bromo-N-(2-bromo-5-fluorophenyl)methanesulfonamide
SMILESO=S(=O)(CBr)Nc1cc(F)ccc1Br
InChIInChI=1S/C7H6Br2FNO2S/c8-4-14(12,13)11-7-3-5(10)1-2-6(7)9/h1-3,11H,4H2
InChIKeyPTISGPLTNJWVFH-UHFFFAOYSA-N
XLogP2.68
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.00
LogP ≤ 52.68
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

2-[(2-bromo-5-fluorophenyl)sulfamoyl]ethanethioamide
CID 107626087
N-(2-bromo-5-fluorophenyl)-3,3-dimethylbutane-1-sulfonamide
CID 107640853
1-(4-aminophenyl)-N-(2-bromo-5-fluorophenyl)methanesulfonamide
CID 107624704
1-bromo-N-(5-fluoro-2-nitrophenyl)methanesulfonamide
CID 83085584
N-(2-bromo-5-fluorophenyl)-2,5-difluorobenzenesulfonamide
CID 103752869
1-[3-(aminomethyl)phenyl]-N-(2-bromo-5-fluorophenyl)methanesulfonamide
CID 106087470
4-bromo-N-(2-bromo-5-fluorophenyl)-2-chlorobenzenesulfonamide
CID 107629929
N-(2-bromo-5-fluorophenyl)-4-propylbenzenesulfonamide
CID 107640872
2-amino-5-bromo-N-(2-bromo-5-fluorophenyl)-4-fluorobenzenesulfonamide
CID 107624682
N-(2-chloro-5-fluorophenyl)ethanesulfonamide
CID 107531524
3-(aminomethyl)-N-(2-bromo-5-fluorophenyl)benzenesulfonamide
CID 106087505
N-(2-bromo-5-fluorophenyl)piperidine-4-sulfonamide
CID 107626850

Frequently Asked Questions

What is the IUPAC name of 1-bromo-N-(2-bromo-5-fluorophenyl)methanesulfonamide?
The IUPAC name of 1-bromo-N-(2-bromo-5-fluorophenyl)methanesulfonamide (CID 107629618) is 1-bromo-N-(2-bromo-5-fluorophenyl)methanesulfonamide.
What is the SMILES notation for 1-bromo-N-(2-bromo-5-fluorophenyl)methanesulfonamide?
The canonical SMILES for 1-bromo-N-(2-bromo-5-fluorophenyl)methanesulfonamide is O=S(=O)(CBr)Nc1cc(F)ccc1Br.
What is the InChIKey of 1-bromo-N-(2-bromo-5-fluorophenyl)methanesulfonamide?
The InChIKey is PTISGPLTNJWVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Br2FNO2S/c8-4-14(12,13)11-7-3-5(10)1-2-6(7)9/h1-3,11H,4H2.
What are the key properties of 1-bromo-N-(2-bromo-5-fluorophenyl)methanesulfonamide?
1-bromo-N-(2-bromo-5-fluorophenyl)methanesulfonamide has a molecular weight of 347.00 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-N-(2-bromo-5-fluorophenyl)methanesulfonamide is sourced from PubChem (CID 107629618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).