N-[(5-bromo-2-fluorophenyl)methyl]ethanesulfonamide

C9H11BrFNO2S — CID 47363964

IUPACN-[(5-bromo-2-fluorophenyl)methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCc1cc(Br)ccc1F
InChIInChI=1S/C9H11BrFNO2S/c1-2-15(13,14)12-6-7-5-8(10)3-4-9(7)11/h3-5,12H,2,6H2,1H3
InChIKeyNUDDUBBLZOJZFZ-UHFFFAOYSA-N
MW296.16 g/mol
LogP2.03
Rot. Bonds4

About N-[(5-bromo-2-fluorophenyl)methyl]ethanesulfonamide

N-[(5-bromo-2-fluorophenyl)methyl]ethanesulfonamide (PubChem CID 47363964) has the molecular formula C9H11BrFNO2S and a molecular weight of 296.16 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]ethanesulfonamide
PubChem CID47363964
Molecular FormulaC9H11BrFNO2S
Molecular Weight296.16 g/mol
Exact Mass294.97
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCc1cc(Br)ccc1F
InChIInChI=1S/C9H11BrFNO2S/c1-2-15(13,14)12-6-7-5-8(10)3-4-9(7)11/h3-5,12H,2,6H2,1H3
InChIKeyNUDDUBBLZOJZFZ-UHFFFAOYSA-N
XLogP2.03
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 ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]ethanesulfonamide?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]ethanesulfonamide (CID 47363964) is N-[(5-bromo-2-fluorophenyl)methyl]ethanesulfonamide.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]ethanesulfonamide?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]ethanesulfonamide is CCS(=O)(=O)NCc1cc(Br)ccc1F.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]ethanesulfonamide?
The InChIKey is NUDDUBBLZOJZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrFNO2S/c1-2-15(13,14)12-6-7-5-8(10)3-4-9(7)11/h3-5,12H,2,6H2,1H3.
What are the key properties of N-[(5-bromo-2-fluorophenyl)methyl]ethanesulfonamide?
N-[(5-bromo-2-fluorophenyl)methyl]ethanesulfonamide has a molecular weight of 296.16 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-fluorophenyl)methyl]ethanesulfonamide is sourced from PubChem (CID 47363964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).