1-bromo-N-[1-(3-fluorophenyl)ethyl]methanesulfonamide

C9H11BrFNO2S — CID 83086983

IUPAC1-bromo-N-[1-(3-fluorophenyl)ethyl]methanesulfonamide
SMILESCC(NS(=O)(=O)CBr)c1cccc(F)c1
InChIInChI=1S/C9H11BrFNO2S/c1-7(12-15(13,14)6-10)8-3-2-4-9(11)5-8/h2-5,7,12H,6H2,1H3
InChIKeyAXHIRXCLYFROCC-UHFFFAOYSA-N
MW296.16 g/mol
LogP2.16
Rot. Bonds4

About 1-bromo-N-[1-(3-fluorophenyl)ethyl]methanesulfonamide

1-bromo-N-[1-(3-fluorophenyl)ethyl]methanesulfonamide (PubChem CID 83086983) has the molecular formula C9H11BrFNO2S and a molecular weight of 296.16 g/mol. Its IUPAC name is 1-bromo-N-[1-(3-fluorophenyl)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-bromo-N-[1-(3-fluorophenyl)ethyl]methanesulfonamide
PubChem CID83086983
Molecular FormulaC9H11BrFNO2S
Molecular Weight296.16 g/mol
Exact Mass294.97
IUPAC Name1-bromo-N-[1-(3-fluorophenyl)ethyl]methanesulfonamide
SMILESCC(NS(=O)(=O)CBr)c1cccc(F)c1
InChIInChI=1S/C9H11BrFNO2S/c1-7(12-15(13,14)6-10)8-3-2-4-9(11)5-8/h2-5,7,12H,6H2,1H3
InChIKeyAXHIRXCLYFROCC-UHFFFAOYSA-N
XLogP2.16
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.16
LogP ≤ 52.16
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-chloro-N-[(1R)-1-(3-fluorophenyl)ethyl]ethanesulfonamide
CID 107858739
1-chloro-N-[1-(3-fluorophenyl)ethyl]methanesulfonamide
CID 63666225
1-chloro-N-[(1R)-1-(3-fluorophenyl)ethyl]methanesulfonamide
CID 107858740
3-chloro-N-[(1S)-1-(3-fluorophenyl)ethyl]-2-methylpropane-1-sulfonamide
CID 107858748
1-bromo-N-[1-(3-methoxyphenyl)ethyl]methanesulfonamide
CID 83086763
N-[(1R)-1-(3-fluorophenyl)ethyl]propane-2-sulfonamide
CID 81366537
N-[3-[1-(bromomethylsulfonylamino)ethyl]phenyl]acetamide
CID 83086978
N-(2-ethylsulfonylethyl)-1-(3-fluorophenyl)ethanamine
CID 54964315
(1R)-N-(2-ethylsulfonylethyl)-1-(3-fluorophenyl)ethanamine
CID 81364829
2-[1-(3-fluorophenyl)ethylsulfamoyl]propanoic acid
CID 54964068
(2S)-1-ethylsulfonyl-N-[(1R)-1-(3-fluorophenyl)ethyl]propan-2-amine
CID 97070520
2-bromo-N-[(1R)-1-(3-fluorophenyl)ethyl]acetamide
CID 81365784

Frequently Asked Questions

What is the IUPAC name of 1-bromo-N-[1-(3-fluorophenyl)ethyl]methanesulfonamide?
The IUPAC name of 1-bromo-N-[1-(3-fluorophenyl)ethyl]methanesulfonamide (CID 83086983) is 1-bromo-N-[1-(3-fluorophenyl)ethyl]methanesulfonamide.
What is the SMILES notation for 1-bromo-N-[1-(3-fluorophenyl)ethyl]methanesulfonamide?
The canonical SMILES for 1-bromo-N-[1-(3-fluorophenyl)ethyl]methanesulfonamide is CC(NS(=O)(=O)CBr)c1cccc(F)c1.
What is the InChIKey of 1-bromo-N-[1-(3-fluorophenyl)ethyl]methanesulfonamide?
The InChIKey is AXHIRXCLYFROCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrFNO2S/c1-7(12-15(13,14)6-10)8-3-2-4-9(11)5-8/h2-5,7,12H,6H2,1H3.
What are the key properties of 1-bromo-N-[1-(3-fluorophenyl)ethyl]methanesulfonamide?
1-bromo-N-[1-(3-fluorophenyl)ethyl]methanesulfonamide has a molecular weight of 296.16 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-N-[1-(3-fluorophenyl)ethyl]methanesulfonamide is sourced from PubChem (CID 83086983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).