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

C9H11BrFNO2S — CID 67053490

IUPACN-(3-bromo-2-fluorophenyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cccc(Br)c1F
InChIInChI=1S/C9H11BrFNO2S/c1-2-6-15(13,14)12-8-5-3-4-7(10)9(8)11/h3-5,12H,2,6H2,1H3
InChIKeyXNPLKJNMBAWPTC-UHFFFAOYSA-N
MW296.16 g/mol
LogP2.74
Rot. Bonds4

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

N-(3-bromo-2-fluorophenyl)propane-1-sulfonamide (PubChem CID 67053490) has the molecular formula C9H11BrFNO2S and a molecular weight of 296.16 g/mol. Its IUPAC name is N-(3-bromo-2-fluorophenyl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-bromo-2-fluorophenyl)propane-1-sulfonamide
PubChem CID67053490
Molecular FormulaC9H11BrFNO2S
Molecular Weight296.16 g/mol
Exact Mass294.97
IUPAC NameN-(3-bromo-2-fluorophenyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cccc(Br)c1F
InChIInChI=1S/C9H11BrFNO2S/c1-2-6-15(13,14)12-8-5-3-4-7(10)9(8)11/h3-5,12H,2,6H2,1H3
InChIKeyXNPLKJNMBAWPTC-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-(3-bromo-2-fluorophenyl)propane-1-sulfonamide?
The IUPAC name of N-(3-bromo-2-fluorophenyl)propane-1-sulfonamide (CID 67053490) is N-(3-bromo-2-fluorophenyl)propane-1-sulfonamide.
What is the SMILES notation for N-(3-bromo-2-fluorophenyl)propane-1-sulfonamide?
The canonical SMILES for N-(3-bromo-2-fluorophenyl)propane-1-sulfonamide is CCCS(=O)(=O)Nc1cccc(Br)c1F.
What is the InChIKey of N-(3-bromo-2-fluorophenyl)propane-1-sulfonamide?
The InChIKey is XNPLKJNMBAWPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrFNO2S/c1-2-6-15(13,14)12-8-5-3-4-7(10)9(8)11/h3-5,12H,2,6H2,1H3.
What are the key properties of N-(3-bromo-2-fluorophenyl)propane-1-sulfonamide?
N-(3-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-(3-bromo-2-fluorophenyl)propane-1-sulfonamide is sourced from PubChem (CID 67053490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).