1-(3-bromo-2-fluorophenyl)propane-1-sulfonamide

C9H11BrFNO2S — CID 67053493

IUPAC1-(3-bromo-2-fluorophenyl)propane-1-sulfonamide
SMILESCCC(c1cccc(Br)c1F)S(N)(=O)=O
InChIInChI=1S/C9H11BrFNO2S/c1-2-8(15(12,13)14)6-4-3-5-7(10)9(6)11/h3-5,8H,2H2,1H3,(H2,12,13,14)
InChIKeyGHQPUYZGUVGNNE-UHFFFAOYSA-N
MW296.16 g/mol
LogP2.33
Rot. Bonds3

About 1-(3-bromo-2-fluorophenyl)propane-1-sulfonamide

1-(3-bromo-2-fluorophenyl)propane-1-sulfonamide (PubChem CID 67053493) has the molecular formula C9H11BrFNO2S and a molecular weight of 296.16 g/mol. Its IUPAC name is 1-(3-bromo-2-fluorophenyl)propane-1-sulfonamide.

Molecular Properties

Compound Name1-(3-bromo-2-fluorophenyl)propane-1-sulfonamide
PubChem CID67053493
Molecular FormulaC9H11BrFNO2S
Molecular Weight296.16 g/mol
Exact Mass294.97
IUPAC Name1-(3-bromo-2-fluorophenyl)propane-1-sulfonamide
SMILESCCC(c1cccc(Br)c1F)S(N)(=O)=O
InChIInChI=1S/C9H11BrFNO2S/c1-2-8(15(12,13)14)6-4-3-5-7(10)9(6)11/h3-5,8H,2H2,1H3,(H2,12,13,14)
InChIKeyGHQPUYZGUVGNNE-UHFFFAOYSA-N
XLogP2.33
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.16
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-fluorophenyl)propane-1-sulfonamide?
The IUPAC name of 1-(3-bromo-2-fluorophenyl)propane-1-sulfonamide (CID 67053493) is 1-(3-bromo-2-fluorophenyl)propane-1-sulfonamide.
What is the SMILES notation for 1-(3-bromo-2-fluorophenyl)propane-1-sulfonamide?
The canonical SMILES for 1-(3-bromo-2-fluorophenyl)propane-1-sulfonamide is CCC(c1cccc(Br)c1F)S(N)(=O)=O.
What is the InChIKey of 1-(3-bromo-2-fluorophenyl)propane-1-sulfonamide?
The InChIKey is GHQPUYZGUVGNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrFNO2S/c1-2-8(15(12,13)14)6-4-3-5-7(10)9(6)11/h3-5,8H,2H2,1H3,(H2,12,13,14).
What are the key properties of 1-(3-bromo-2-fluorophenyl)propane-1-sulfonamide?
1-(3-bromo-2-fluorophenyl)propane-1-sulfonamide has a molecular weight of 296.16 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-fluorophenyl)propane-1-sulfonamide is sourced from PubChem (CID 67053493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).