3-[(3-chloro-2-fluorophenyl)sulfamoyl]propanoic acid

C9H9ClFNO4S — CID 28969153

IUPAC3-[(3-chloro-2-fluorophenyl)sulfamoyl]propanoic acid
SMILESO=C(O)CCS(=O)(=O)Nc1cccc(Cl)c1F
InChIInChI=1S/C9H9ClFNO4S/c10-6-2-1-3-7(9(6)11)12-17(15,16)5-4-8(13)14/h1-3,12H,4-5H2,(H,13,14)
InChIKeyLZPFLIWUWBAIJN-UHFFFAOYSA-N
MW281.69 g/mol
LogP1.70
Rot. Bonds5

About 3-[(3-chloro-2-fluorophenyl)sulfamoyl]propanoic acid

3-[(3-chloro-2-fluorophenyl)sulfamoyl]propanoic acid (PubChem CID 28969153) has the molecular formula C9H9ClFNO4S and a molecular weight of 281.69 g/mol. Its IUPAC name is 3-[(3-chloro-2-fluorophenyl)sulfamoyl]propanoic acid.

Molecular Properties

Compound Name3-[(3-chloro-2-fluorophenyl)sulfamoyl]propanoic acid
PubChem CID28969153
Molecular FormulaC9H9ClFNO4S
Molecular Weight281.69 g/mol
Exact Mass280.99
IUPAC Name3-[(3-chloro-2-fluorophenyl)sulfamoyl]propanoic acid
SMILESO=C(O)CCS(=O)(=O)Nc1cccc(Cl)c1F
InChIInChI=1S/C9H9ClFNO4S/c10-6-2-1-3-7(9(6)11)12-17(15,16)5-4-8(13)14/h1-3,12H,4-5H2,(H,13,14)
InChIKeyLZPFLIWUWBAIJN-UHFFFAOYSA-N
XLogP1.70
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.69
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[3-chloro-2-(dimethylamino)phenyl]sulfamoyl]propanoic acid
CID 43699684
3-[(2-chloro-3-pyridinyl)sulfamoyl]propanoic acid
CID 43361748
4-(3-chloro-2-fluoroanilino)butanoic acid
CID 28969211
5-(3-chloro-2-fluoroanilino)-5-oxopentanoic acid
CID 43396608
3-[(2-methylsulfonylphenyl)sulfamoyl]propanoic acid
CID 43361847
2-[(3-chloro-2-fluorophenyl)carbamoyl-methylamino]acetic acid
CID 43135927
2-[4-[(3-chloro-2-fluorophenyl)sulfamoyl]phenoxy]acetic acid
CID 56808465
3-[(3-carbamoyl-2-methylphenyl)sulfamoyl]propanoic acid
CID 43709519
3-[4-[(3-chloro-2-fluorophenyl)sulfamoyl]phenyl]propanoate
CID 8934203
3-[(5-bromo-2-fluorophenyl)sulfamoyl]propanoic acid
CID 43555611
5-[(3-chloro-2-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61027238
3-[(2-ethylsulfanylphenyl)sulfamoyl]propanoic acid
CID 60933758

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chloro-2-fluorophenyl)sulfamoyl]propanoic acid?
The IUPAC name of 3-[(3-chloro-2-fluorophenyl)sulfamoyl]propanoic acid (CID 28969153) is 3-[(3-chloro-2-fluorophenyl)sulfamoyl]propanoic acid.
What is the SMILES notation for 3-[(3-chloro-2-fluorophenyl)sulfamoyl]propanoic acid?
The canonical SMILES for 3-[(3-chloro-2-fluorophenyl)sulfamoyl]propanoic acid is O=C(O)CCS(=O)(=O)Nc1cccc(Cl)c1F.
What is the InChIKey of 3-[(3-chloro-2-fluorophenyl)sulfamoyl]propanoic acid?
The InChIKey is LZPFLIWUWBAIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClFNO4S/c10-6-2-1-3-7(9(6)11)12-17(15,16)5-4-8(13)14/h1-3,12H,4-5H2,(H,13,14).
What are the key properties of 3-[(3-chloro-2-fluorophenyl)sulfamoyl]propanoic acid?
3-[(3-chloro-2-fluorophenyl)sulfamoyl]propanoic acid has a molecular weight of 281.69 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chloro-2-fluorophenyl)sulfamoyl]propanoic acid is sourced from PubChem (CID 28969153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).