1-bromo-2,4-difluoro-5-(sulfamoylamino)benzene

C6H5BrF2N2O2S — CID 102855195

IUPAC1-bromo-2,4-difluoro-5-(sulfamoylamino)benzene
SMILESNS(=O)(=O)Nc1cc(Br)c(F)cc1F
InChIInChI=1S/C6H5BrF2N2O2S/c7-3-1-6(11-14(10,12)13)5(9)2-4(3)8/h1-2,11H,(H2,10,12,13)
InChIKeyFQWQIEUHHBSEFG-UHFFFAOYSA-N
MW287.09 g/mol
LogP1.34
Rot. Bonds2

About 1-bromo-2,4-difluoro-5-(sulfamoylamino)benzene

1-bromo-2,4-difluoro-5-(sulfamoylamino)benzene (PubChem CID 102855195) has the molecular formula C6H5BrF2N2O2S and a molecular weight of 287.09 g/mol. Its IUPAC name is 1-bromo-2,4-difluoro-5-(sulfamoylamino)benzene.

Molecular Properties

Compound Name1-bromo-2,4-difluoro-5-(sulfamoylamino)benzene
PubChem CID102855195
Molecular FormulaC6H5BrF2N2O2S
Molecular Weight287.09 g/mol
Exact Mass285.92
IUPAC Name1-bromo-2,4-difluoro-5-(sulfamoylamino)benzene
SMILESNS(=O)(=O)Nc1cc(Br)c(F)cc1F
InChIInChI=1S/C6H5BrF2N2O2S/c7-3-1-6(11-14(10,12)13)5(9)2-4(3)8/h1-2,11H,(H2,10,12,13)
InChIKeyFQWQIEUHHBSEFG-UHFFFAOYSA-N
XLogP1.34
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.09
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2,4-difluoro-5-(sulfamoylamino)benzamide
CID 112573250
N-(5-bromo-2,4-difluorophenyl)-2-hydrazinylpyrimidine-5-sulfonamide
CID 102854113
4-chloro-1-fluoro-2-(sulfamoylamino)benzene
CID 112573776
methyl 2,4-difluoro-5-(sulfamoylamino)benzoate
CID 112573353
N-(5-bromo-2,4-difluorophenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 102854641
5-(aminomethyl)-N-(5-bromo-2,4-difluorophenyl)pyridine-2-sulfonamide
CID 106087059
1-(2-aminoethyl)-N-(5-bromo-2,4-difluorophenyl)pyrazole-4-sulfonamide
CID 106087019
2-[(4-bromo-2,5-difluorophenyl)sulfamoyl]propanethioamide
CID 107612208
N-(5-bromo-2,4-difluorophenyl)-5-chloro-1-methylimidazole-4-sulfonamide
CID 102846862
5-[(5-bromo-2,4-difluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 102852558
N-(5-bromo-2,4-difluorophenyl)-5-(methylaminomethyl)furan-2-sulfonamide
CID 106087052
2-(5-bromo-2,4-difluoroanilino)-2-oxoacetic acid
CID 102854660

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2,4-difluoro-5-(sulfamoylamino)benzene?
The IUPAC name of 1-bromo-2,4-difluoro-5-(sulfamoylamino)benzene (CID 102855195) is 1-bromo-2,4-difluoro-5-(sulfamoylamino)benzene.
What is the SMILES notation for 1-bromo-2,4-difluoro-5-(sulfamoylamino)benzene?
The canonical SMILES for 1-bromo-2,4-difluoro-5-(sulfamoylamino)benzene is NS(=O)(=O)Nc1cc(Br)c(F)cc1F.
What is the InChIKey of 1-bromo-2,4-difluoro-5-(sulfamoylamino)benzene?
The InChIKey is FQWQIEUHHBSEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrF2N2O2S/c7-3-1-6(11-14(10,12)13)5(9)2-4(3)8/h1-2,11H,(H2,10,12,13).
What are the key properties of 1-bromo-2,4-difluoro-5-(sulfamoylamino)benzene?
1-bromo-2,4-difluoro-5-(sulfamoylamino)benzene has a molecular weight of 287.09 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2,4-difluoro-5-(sulfamoylamino)benzene is sourced from PubChem (CID 102855195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).