2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfamoyl]propanoic acid

C10H9ClF3NO4S — CID 61454443

IUPAC2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfamoyl]propanoic acid
SMILESCC(C(=O)O)S(=O)(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C10H9ClF3NO4S/c1-5(9(16)17)20(18,19)15-6-2-3-8(11)7(4-6)10(12,13)14/h2-5,15H,1H3,(H,16,17)
InChIKeyXLFWXZBMDJTATI-UHFFFAOYSA-N
MW331.70 g/mol
LogP2.57
Rot. Bonds4

About 2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfamoyl]propanoic acid

2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfamoyl]propanoic acid (PubChem CID 61454443) has the molecular formula C10H9ClF3NO4S and a molecular weight of 331.70 g/mol. Its IUPAC name is 2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfamoyl]propanoic acid.

Molecular Properties

Compound Name2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfamoyl]propanoic acid
PubChem CID61454443
Molecular FormulaC10H9ClF3NO4S
Molecular Weight331.70 g/mol
Exact Mass330.99
IUPAC Name2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfamoyl]propanoic acid
SMILESCC(C(=O)O)S(=O)(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C10H9ClF3NO4S/c1-5(9(16)17)20(18,19)15-6-2-3-8(11)7(4-6)10(12,13)14/h2-5,15H,1H3,(H,16,17)
InChIKeyXLFWXZBMDJTATI-UHFFFAOYSA-N
XLogP2.57
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.70
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfamoyl]propanoic acid
CID 61457742
2-[[4-cyano-3-(trifluoromethyl)phenyl]sulfamoyl]propanoic acid
CID 65483566
2-[(4-carbamoyl-3-chlorophenyl)sulfamoyl]propanoic acid
CID 61454806
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-hydroxypropanamide
CID 82134049
4-acetyl-N-[4-chloro-3-(trifluoromethyl)phenyl]benzenesulfonamide
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2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid
CID 3270164
4-chloro-N-propan-2-yl-3-(trifluoromethyl)aniline
CID 21043795
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methylsulfonylbenzenesulfonamide
CID 25469886
propan-2-yl N-[4-chloro-3-(trifluoromethyl)phenyl]carbamate
CID 51062424
(2S)-2-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide;hydrochloride
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N-[4-chloro-3-(trifluoromethyl)phenyl]butane-1-sulfonamide
CID 22201682
2-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-methylbutanamide
CID 43245822

Frequently Asked Questions

What is the IUPAC name of 2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfamoyl]propanoic acid?
The IUPAC name of 2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfamoyl]propanoic acid (CID 61454443) is 2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfamoyl]propanoic acid.
What is the SMILES notation for 2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfamoyl]propanoic acid?
The canonical SMILES for 2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfamoyl]propanoic acid is CC(C(=O)O)S(=O)(=O)Nc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfamoyl]propanoic acid?
The InChIKey is XLFWXZBMDJTATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF3NO4S/c1-5(9(16)17)20(18,19)15-6-2-3-8(11)7(4-6)10(12,13)14/h2-5,15H,1H3,(H,16,17).
What are the key properties of 2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfamoyl]propanoic acid?
2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfamoyl]propanoic acid has a molecular weight of 331.70 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfamoyl]propanoic acid is sourced from PubChem (CID 61454443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).