N-(4-bromo-2-fluorophenyl)propane-1-sulfonamide

C9H11BrFNO2S — CID 24690496

IUPACN-(4-bromo-2-fluorophenyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C9H11BrFNO2S/c1-2-5-15(13,14)12-9-4-3-7(10)6-8(9)11/h3-4,6,12H,2,5H2,1H3
InChIKeyMCBJIZAROFHFNV-UHFFFAOYSA-N
MW296.16 g/mol
LogP2.74
Rot. Bonds4

About N-(4-bromo-2-fluorophenyl)propane-1-sulfonamide

N-(4-bromo-2-fluorophenyl)propane-1-sulfonamide (PubChem CID 24690496) has the molecular formula C9H11BrFNO2S and a molecular weight of 296.16 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)propane-1-sulfonamide
PubChem CID24690496
Molecular FormulaC9H11BrFNO2S
Molecular Weight296.16 g/mol
Exact Mass294.97
IUPAC NameN-(4-bromo-2-fluorophenyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C9H11BrFNO2S/c1-2-5-15(13,14)12-9-4-3-7(10)6-8(9)11/h3-4,6,12H,2,5H2,1H3
InChIKeyMCBJIZAROFHFNV-UHFFFAOYSA-N
XLogP2.74
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 ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)propane-1-sulfonamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)propane-1-sulfonamide (CID 24690496) is N-(4-bromo-2-fluorophenyl)propane-1-sulfonamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)propane-1-sulfonamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc(Br)cc1F.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)propane-1-sulfonamide?
The InChIKey is MCBJIZAROFHFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrFNO2S/c1-2-5-15(13,14)12-9-4-3-7(10)6-8(9)11/h3-4,6,12H,2,5H2,1H3.
What are the key properties of N-(4-bromo-2-fluorophenyl)propane-1-sulfonamide?
N-(4-bromo-2-fluorophenyl)propane-1-sulfonamide has a molecular weight of 296.16 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)propane-1-sulfonamide is sourced from PubChem (CID 24690496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).