1-bromo-4-fluoro-2-[(sulfamoylamino)methyl]benzene

C7H8BrFN2O2S — CID 112686127

IUPAC1-bromo-4-fluoro-2-[(sulfamoylamino)methyl]benzene
SMILESNS(=O)(=O)NCc1cc(F)ccc1Br
InChIInChI=1S/C7H8BrFN2O2S/c8-7-2-1-6(9)3-5(7)4-11-14(10,12)13/h1-3,11H,4H2,(H2,10,12,13)
InChIKeyNBCZFGQHEZDZAX-UHFFFAOYSA-N
MW283.12 g/mol
LogP0.88
Rot. Bonds3

About 1-bromo-4-fluoro-2-[(sulfamoylamino)methyl]benzene

1-bromo-4-fluoro-2-[(sulfamoylamino)methyl]benzene (PubChem CID 112686127) has the molecular formula C7H8BrFN2O2S and a molecular weight of 283.12 g/mol. Its IUPAC name is 1-bromo-4-fluoro-2-[(sulfamoylamino)methyl]benzene.

Molecular Properties

Compound Name1-bromo-4-fluoro-2-[(sulfamoylamino)methyl]benzene
PubChem CID112686127
Molecular FormulaC7H8BrFN2O2S
Molecular Weight283.12 g/mol
Exact Mass281.95
IUPAC Name1-bromo-4-fluoro-2-[(sulfamoylamino)methyl]benzene
SMILESNS(=O)(=O)NCc1cc(F)ccc1Br
InChIInChI=1S/C7H8BrFN2O2S/c8-7-2-1-6(9)3-5(7)4-11-14(10,12)13/h1-3,11H,4H2,(H2,10,12,13)
InChIKeyNBCZFGQHEZDZAX-UHFFFAOYSA-N
XLogP0.88
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.12
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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N-[(2-bromo-5-fluorophenyl)methyl]-2-methoxy-5-sulfamoylbenzamide
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(2R)-2-amino-N-[(2-bromo-5-fluorophenyl)methyl]-3,3-dimethylbutanamide
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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-fluoro-2-[(sulfamoylamino)methyl]benzene?
The IUPAC name of 1-bromo-4-fluoro-2-[(sulfamoylamino)methyl]benzene (CID 112686127) is 1-bromo-4-fluoro-2-[(sulfamoylamino)methyl]benzene.
What is the SMILES notation for 1-bromo-4-fluoro-2-[(sulfamoylamino)methyl]benzene?
The canonical SMILES for 1-bromo-4-fluoro-2-[(sulfamoylamino)methyl]benzene is NS(=O)(=O)NCc1cc(F)ccc1Br.
What is the InChIKey of 1-bromo-4-fluoro-2-[(sulfamoylamino)methyl]benzene?
The InChIKey is NBCZFGQHEZDZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrFN2O2S/c8-7-2-1-6(9)3-5(7)4-11-14(10,12)13/h1-3,11H,4H2,(H2,10,12,13).
What are the key properties of 1-bromo-4-fluoro-2-[(sulfamoylamino)methyl]benzene?
1-bromo-4-fluoro-2-[(sulfamoylamino)methyl]benzene has a molecular weight of 283.12 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-fluoro-2-[(sulfamoylamino)methyl]benzene is sourced from PubChem (CID 112686127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).