4-[(4-bromo-3-fluorophenyl)sulfonylamino]pentanoic acid

C11H13BrFNO4S — CID 104936319

IUPAC4-[(4-bromo-3-fluorophenyl)sulfonylamino]pentanoic acid
SMILESCC(CCC(=O)O)NS(=O)(=O)c1ccc(Br)c(F)c1
InChIInChI=1S/C11H13BrFNO4S/c1-7(2-5-11(15)16)14-19(17,18)8-3-4-9(12)10(13)6-8/h3-4,6-7,14H,2,5H2,1H3,(H,15,16)
InChIKeyZRJKHNBIHSJRFA-UHFFFAOYSA-N
MW354.20 g/mol
LogP2.12
Rot. Bonds6

About 4-[(4-bromo-3-fluorophenyl)sulfonylamino]pentanoic acid

4-[(4-bromo-3-fluorophenyl)sulfonylamino]pentanoic acid (PubChem CID 104936319) has the molecular formula C11H13BrFNO4S and a molecular weight of 354.20 g/mol. Its IUPAC name is 4-[(4-bromo-3-fluorophenyl)sulfonylamino]pentanoic acid.

Molecular Properties

Compound Name4-[(4-bromo-3-fluorophenyl)sulfonylamino]pentanoic acid
PubChem CID104936319
Molecular FormulaC11H13BrFNO4S
Molecular Weight354.20 g/mol
Exact Mass352.97
IUPAC Name4-[(4-bromo-3-fluorophenyl)sulfonylamino]pentanoic acid
SMILESCC(CCC(=O)O)NS(=O)(=O)c1ccc(Br)c(F)c1
InChIInChI=1S/C11H13BrFNO4S/c1-7(2-5-11(15)16)14-19(17,18)8-3-4-9(12)10(13)6-8/h3-4,6-7,14H,2,5H2,1H3,(H,15,16)
InChIKeyZRJKHNBIHSJRFA-UHFFFAOYSA-N
XLogP2.12
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.20
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-3-fluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide
CID 103836294
4-bromo-3-fluoro-N-(4-methylpentan-2-yl)benzenesulfonamide
CID 107649944
3-[(4-bromo-3-fluorophenyl)sulfonylamino]-4-methylpentanoic acid
CID 104936328
(2S)-2-[(4-bromo-3-fluorophenyl)sulfonylamino]butanoic acid
CID 104935577
(2S)-5-amino-2-[(4-bromo-3-fluorophenyl)sulfonylamino]-5-oxopentanoic acid
CID 104934647
4-bromo-3-fluoro-N-heptan-4-ylbenzenesulfonamide
CID 130254293
4-bromo-3-fluoro-N-pentan-3-ylbenzenesulfonamide
CID 103697155
2-[(4-bromo-3-fluorophenyl)sulfonylamino]-N-(2-methylpropyl)propanamide
CID 107650371
4-bromo-3-fluoro-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 103697593
4-bromo-3-fluoro-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 113242574
5-[(3-fluorophenyl)sulfonylamino]hexanoic acid
CID 82855096
4-bromo-N-[(1R)-1-(4-bromophenyl)ethyl]-3-fluorobenzenesulfonamide
CID 107868995

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromo-3-fluorophenyl)sulfonylamino]pentanoic acid?
The IUPAC name of 4-[(4-bromo-3-fluorophenyl)sulfonylamino]pentanoic acid (CID 104936319) is 4-[(4-bromo-3-fluorophenyl)sulfonylamino]pentanoic acid.
What is the SMILES notation for 4-[(4-bromo-3-fluorophenyl)sulfonylamino]pentanoic acid?
The canonical SMILES for 4-[(4-bromo-3-fluorophenyl)sulfonylamino]pentanoic acid is CC(CCC(=O)O)NS(=O)(=O)c1ccc(Br)c(F)c1.
What is the InChIKey of 4-[(4-bromo-3-fluorophenyl)sulfonylamino]pentanoic acid?
The InChIKey is ZRJKHNBIHSJRFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFNO4S/c1-7(2-5-11(15)16)14-19(17,18)8-3-4-9(12)10(13)6-8/h3-4,6-7,14H,2,5H2,1H3,(H,15,16).
What are the key properties of 4-[(4-bromo-3-fluorophenyl)sulfonylamino]pentanoic acid?
4-[(4-bromo-3-fluorophenyl)sulfonylamino]pentanoic acid has a molecular weight of 354.20 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromo-3-fluorophenyl)sulfonylamino]pentanoic acid is sourced from PubChem (CID 104936319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).