3-[(3-chloro-4-fluorophenyl)methylsulfamoyl]propanoic acid

C10H11ClFNO4S — CID 62538911

IUPAC3-[(3-chloro-4-fluorophenyl)methylsulfamoyl]propanoic acid
SMILESO=C(O)CCS(=O)(=O)NCc1ccc(F)c(Cl)c1
InChIInChI=1S/C10H11ClFNO4S/c11-8-5-7(1-2-9(8)12)6-13-18(16,17)4-3-10(14)15/h1-2,5,13H,3-4,6H2,(H,14,15)
InChIKeyFUUFYTAYVXQOKO-UHFFFAOYSA-N
MW295.72 g/mol
LogP1.37
Rot. Bonds6

About 3-[(3-chloro-4-fluorophenyl)methylsulfamoyl]propanoic acid

3-[(3-chloro-4-fluorophenyl)methylsulfamoyl]propanoic acid (PubChem CID 62538911) has the molecular formula C10H11ClFNO4S and a molecular weight of 295.72 g/mol. Its IUPAC name is 3-[(3-chloro-4-fluorophenyl)methylsulfamoyl]propanoic acid.

Molecular Properties

Compound Name3-[(3-chloro-4-fluorophenyl)methylsulfamoyl]propanoic acid
PubChem CID62538911
Molecular FormulaC10H11ClFNO4S
Molecular Weight295.72 g/mol
Exact Mass295.01
IUPAC Name3-[(3-chloro-4-fluorophenyl)methylsulfamoyl]propanoic acid
SMILESO=C(O)CCS(=O)(=O)NCc1ccc(F)c(Cl)c1
InChIInChI=1S/C10H11ClFNO4S/c11-8-5-7(1-2-9(8)12)6-13-18(16,17)4-3-10(14)15/h1-2,5,13H,3-4,6H2,(H,14,15)
InChIKeyFUUFYTAYVXQOKO-UHFFFAOYSA-N
XLogP1.37
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.72
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chloro-4-fluorophenyl)methyl]-3-(propylamino)propane-1-sulfonamide
CID 106055514
5-[(3-chloro-4-fluorophenyl)methylsulfamoyl]furan-2-carboxylic acid
CID 62539404
N-[(3-chloro-4-fluorophenyl)methyl]benzenesulfonamide
CID 3752569
3-[(3-sulfamoylphenyl)methylsulfamoyl]propanoic acid
CID 60859947
3-[(3-chloro-4-fluorophenyl)sulfonylamino]propanoic acid
CID 697756
N-[(3-chloro-4-fluorophenyl)methyl]-2-fluorobenzenesulfonamide
CID 62537779
3-[(3-chloro-4-fluorophenyl)methylcarbamoyl-ethylamino]propanoic acid
CID 62533788
4-(aminomethyl)-N-[(3-chloro-4-fluorophenyl)methyl]-5-methyl-1H-pyrazole-3-sulfonamide
CID 106055543
N-[(3-chloro-4-fluorophenyl)methyl]benzamide
CID 62721837
N-[(3-chlorophenyl)methyl]-2-hydroxyethanesulfonamide
CID 79579372
N'-[(3-chloro-4-fluorophenyl)methyl]oxamide
CID 115191859
1-[(3-chloro-4-fluorophenyl)methyl]-3-methylurea
CID 115603858

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chloro-4-fluorophenyl)methylsulfamoyl]propanoic acid?
The IUPAC name of 3-[(3-chloro-4-fluorophenyl)methylsulfamoyl]propanoic acid (CID 62538911) is 3-[(3-chloro-4-fluorophenyl)methylsulfamoyl]propanoic acid.
What is the SMILES notation for 3-[(3-chloro-4-fluorophenyl)methylsulfamoyl]propanoic acid?
The canonical SMILES for 3-[(3-chloro-4-fluorophenyl)methylsulfamoyl]propanoic acid is O=C(O)CCS(=O)(=O)NCc1ccc(F)c(Cl)c1.
What is the InChIKey of 3-[(3-chloro-4-fluorophenyl)methylsulfamoyl]propanoic acid?
The InChIKey is FUUFYTAYVXQOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFNO4S/c11-8-5-7(1-2-9(8)12)6-13-18(16,17)4-3-10(14)15/h1-2,5,13H,3-4,6H2,(H,14,15).
What are the key properties of 3-[(3-chloro-4-fluorophenyl)methylsulfamoyl]propanoic acid?
3-[(3-chloro-4-fluorophenyl)methylsulfamoyl]propanoic acid has a molecular weight of 295.72 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chloro-4-fluorophenyl)methylsulfamoyl]propanoic acid is sourced from PubChem (CID 62538911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).