1-bromo-N-[(1R)-1-(2-fluorophenyl)ethyl]methanesulfonamide

C9H11BrFNO2S — CID 107858602

IUPAC1-bromo-N-[(1R)-1-(2-fluorophenyl)ethyl]methanesulfonamide
SMILESC[C@@H](NS(=O)(=O)CBr)c1ccccc1F
InChIInChI=1S/C9H11BrFNO2S/c1-7(12-15(13,14)6-10)8-4-2-3-5-9(8)11/h2-5,7,12H,6H2,1H3/t7-/m1/s1
InChIKeySWZGRLLEXCZWCZ-SSDOTTSWSA-N
MW296.16 g/mol
LogP2.16
Rot. Bonds4

About 1-bromo-N-[(1R)-1-(2-fluorophenyl)ethyl]methanesulfonamide

1-bromo-N-[(1R)-1-(2-fluorophenyl)ethyl]methanesulfonamide (PubChem CID 107858602) has the molecular formula C9H11BrFNO2S and a molecular weight of 296.16 g/mol. Its IUPAC name is 1-bromo-N-[(1R)-1-(2-fluorophenyl)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-bromo-N-[(1R)-1-(2-fluorophenyl)ethyl]methanesulfonamide
PubChem CID107858602
Molecular FormulaC9H11BrFNO2S
Molecular Weight296.16 g/mol
Exact Mass294.97
IUPAC Name1-bromo-N-[(1R)-1-(2-fluorophenyl)ethyl]methanesulfonamide
SMILESC[C@@H](NS(=O)(=O)CBr)c1ccccc1F
InChIInChI=1S/C9H11BrFNO2S/c1-7(12-15(13,14)6-10)8-4-2-3-5-9(8)11/h2-5,7,12H,6H2,1H3/t7-/m1/s1
InChIKeySWZGRLLEXCZWCZ-SSDOTTSWSA-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

N-[(1R)-1-(2-fluorophenyl)ethyl]butane-1-sulfonamide
CID 146353198
4-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]butane-1-sulfonamide
CID 107858607
1-bromo-N-[1-(3-fluorophenyl)ethyl]methanesulfonamide
CID 83086983
2-amino-N-[1-(2-fluorophenyl)ethyl]pyrimidine-5-sulfonamide
CID 62156754
2-bromo-4-fluoro-N-[1-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 61073267
2-amino-3-fluoro-N-[1-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 62057730
1-bromo-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]methanesulfonamide
CID 99616093
1-bromo-N-[1-(2-methoxy-5-methylphenyl)ethyl]methanesulfonamide
CID 83084664
4-bromo-2-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 32943683
4-amino-3-fluoro-N-[1-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 82845290
6-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]pyridine-3-sulfonamide
CID 114613295
N-[1-(2-fluorophenyl)ethyl]-1H-pyrazole-4-sulfonamide
CID 54934224

Frequently Asked Questions

What is the IUPAC name of 1-bromo-N-[(1R)-1-(2-fluorophenyl)ethyl]methanesulfonamide?
The IUPAC name of 1-bromo-N-[(1R)-1-(2-fluorophenyl)ethyl]methanesulfonamide (CID 107858602) is 1-bromo-N-[(1R)-1-(2-fluorophenyl)ethyl]methanesulfonamide.
What is the SMILES notation for 1-bromo-N-[(1R)-1-(2-fluorophenyl)ethyl]methanesulfonamide?
The canonical SMILES for 1-bromo-N-[(1R)-1-(2-fluorophenyl)ethyl]methanesulfonamide is C[C@@H](NS(=O)(=O)CBr)c1ccccc1F.
What is the InChIKey of 1-bromo-N-[(1R)-1-(2-fluorophenyl)ethyl]methanesulfonamide?
The InChIKey is SWZGRLLEXCZWCZ-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H11BrFNO2S/c1-7(12-15(13,14)6-10)8-4-2-3-5-9(8)11/h2-5,7,12H,6H2,1H3/t7-/m1/s1.
What are the key properties of 1-bromo-N-[(1R)-1-(2-fluorophenyl)ethyl]methanesulfonamide?
1-bromo-N-[(1R)-1-(2-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-[(1R)-1-(2-fluorophenyl)ethyl]methanesulfonamide is sourced from PubChem (CID 107858602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).