1-(5-bromo-2-fluorophenyl)-N-(methylsulfamoyl)methanamine

C8H10BrFN2O2S — CID 114808753

IUPAC1-(5-bromo-2-fluorophenyl)-N-(methylsulfamoyl)methanamine
SMILESCNS(=O)(=O)NCc1cc(Br)ccc1F
InChIInChI=1S/C8H10BrFN2O2S/c1-11-15(13,14)12-5-6-4-7(9)2-3-8(6)10/h2-4,11-12H,5H2,1H3
InChIKeyMQADJMZWNWCMOI-UHFFFAOYSA-N
MW297.15 g/mol
LogP1.14
Rot. Bonds4

About 1-(5-bromo-2-fluorophenyl)-N-(methylsulfamoyl)methanamine

1-(5-bromo-2-fluorophenyl)-N-(methylsulfamoyl)methanamine (PubChem CID 114808753) has the molecular formula C8H10BrFN2O2S and a molecular weight of 297.15 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-N-(methylsulfamoyl)methanamine.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-N-(methylsulfamoyl)methanamine
PubChem CID114808753
Molecular FormulaC8H10BrFN2O2S
Molecular Weight297.15 g/mol
Exact Mass295.96
IUPAC Name1-(5-bromo-2-fluorophenyl)-N-(methylsulfamoyl)methanamine
SMILESCNS(=O)(=O)NCc1cc(Br)ccc1F
InChIInChI=1S/C8H10BrFN2O2S/c1-11-15(13,14)12-5-6-4-7(9)2-3-8(6)10/h2-4,11-12H,5H2,1H3
InChIKeyMQADJMZWNWCMOI-UHFFFAOYSA-N
XLogP1.14
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.15
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromo-2-fluorophenyl)methyl]butane-1-sulfonamide
CID 47363963
2-amino-5-bromo-N-[(5-bromo-2-fluorophenyl)methyl]benzenesulfonamide
CID 61298867
N-[(5-bromo-2-fluorophenyl)methyl]-4-chlorobutane-1-sulfonamide
CID 116816016
N-[(5-bromo-2-fluorophenyl)methyl]-2-propan-2-ylsulfonylethanamine
CID 106723390
N-[(5-bromo-2-fluorophenyl)methyl]-2-methoxybenzenesulfonamide
CID 86984270
N-[(5-bromo-2-fluorophenyl)methyl]thiophene-2-sulfonamide
CID 47185676
N-[(5-bromo-2-fluorophenyl)methyl]oxane-4-sulfonamide
CID 62049363
4-bromo-2-ethyl-1-fluorobenzene
CID 22641025
N-[(5-bromo-2-fluorophenyl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 61301023
N-[(5-bromo-2-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 61300828
N-[(5-bromo-2-fluorophenyl)methyl]-1-methylpyrazole-4-sulfonamide
CID 47318060
4-[(5-bromo-2-fluorophenyl)methylsulfamoyl]butanoic acid
CID 61299271

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-N-(methylsulfamoyl)methanamine?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-N-(methylsulfamoyl)methanamine (CID 114808753) is 1-(5-bromo-2-fluorophenyl)-N-(methylsulfamoyl)methanamine.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-N-(methylsulfamoyl)methanamine?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-N-(methylsulfamoyl)methanamine is CNS(=O)(=O)NCc1cc(Br)ccc1F.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-N-(methylsulfamoyl)methanamine?
The InChIKey is MQADJMZWNWCMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrFN2O2S/c1-11-15(13,14)12-5-6-4-7(9)2-3-8(6)10/h2-4,11-12H,5H2,1H3.
What are the key properties of 1-(5-bromo-2-fluorophenyl)-N-(methylsulfamoyl)methanamine?
1-(5-bromo-2-fluorophenyl)-N-(methylsulfamoyl)methanamine has a molecular weight of 297.15 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-fluorophenyl)-N-(methylsulfamoyl)methanamine is sourced from PubChem (CID 114808753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).