2-[[2-(2,2,2-trifluoroethylsulfanyl)phenyl]sulfamoyl]acetic acid

C10H10F3NO4S2 — CID 43361756

IUPAC2-[[2-(2,2,2-trifluoroethylsulfanyl)phenyl]sulfamoyl]acetic acid
SMILESO=C(O)CS(=O)(=O)Nc1ccccc1SCC(F)(F)F
InChIInChI=1S/C10H10F3NO4S2/c11-10(12,13)6-19-8-4-2-1-3-7(8)14-20(17,18)5-9(15)16/h1-4,14H,5-6H2,(H,15,16)
InChIKeyPDYHSARNVNLRBJ-UHFFFAOYSA-N
MW329.32 g/mol
LogP2.17
Rot. Bonds6

About 2-[[2-(2,2,2-trifluoroethylsulfanyl)phenyl]sulfamoyl]acetic acid

2-[[2-(2,2,2-trifluoroethylsulfanyl)phenyl]sulfamoyl]acetic acid (PubChem CID 43361756) has the molecular formula C10H10F3NO4S2 and a molecular weight of 329.32 g/mol. Its IUPAC name is 2-[[2-(2,2,2-trifluoroethylsulfanyl)phenyl]sulfamoyl]acetic acid.

Molecular Properties

Compound Name2-[[2-(2,2,2-trifluoroethylsulfanyl)phenyl]sulfamoyl]acetic acid
PubChem CID43361756
Molecular FormulaC10H10F3NO4S2
Molecular Weight329.32 g/mol
Exact Mass329.00
IUPAC Name2-[[2-(2,2,2-trifluoroethylsulfanyl)phenyl]sulfamoyl]acetic acid
SMILESO=C(O)CS(=O)(=O)Nc1ccccc1SCC(F)(F)F
InChIInChI=1S/C10H10F3NO4S2/c11-10(12,13)6-19-8-4-2-1-3-7(8)14-20(17,18)5-9(15)16/h1-4,14H,5-6H2,(H,15,16)
InChIKeyPDYHSARNVNLRBJ-UHFFFAOYSA-N
XLogP2.17
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.32
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(sulfamoylamino)-2-(2,2,2-trifluoroethylsulfanyl)benzene
CID 112573492
4-oxo-4-[2-(2,2,2-trifluoroethylsulfanyl)anilino]butanoic acid
CID 43579901
1-N-methyl-4-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzene-1,4-disulfonamide
CID 46635998
4-methyl-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzenesulfonamide
CID 16615645
2,2,2-trifluoroethyl N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]carbamate
CID 65173849
2-chloro-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide
CID 43167988
N-methyl-2-(2,2,2-trifluoroethylsulfanyl)aniline
CID 63091072
(2S)-2-amino-3,3-dimethyl-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]butanamide
CID 61180010
N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]-1H-pyrazole-5-sulfonamide
CID 102691731
3-[(2-ethylsulfanylphenyl)sulfamoyl]propanoic acid
CID 60933758
2-methylsulfonyl-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide
CID 43043214
2-[(2-bromophenyl)sulfamoyl]acetic acid
CID 28773666

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,2,2-trifluoroethylsulfanyl)phenyl]sulfamoyl]acetic acid?
The IUPAC name of 2-[[2-(2,2,2-trifluoroethylsulfanyl)phenyl]sulfamoyl]acetic acid (CID 43361756) is 2-[[2-(2,2,2-trifluoroethylsulfanyl)phenyl]sulfamoyl]acetic acid.
What is the SMILES notation for 2-[[2-(2,2,2-trifluoroethylsulfanyl)phenyl]sulfamoyl]acetic acid?
The canonical SMILES for 2-[[2-(2,2,2-trifluoroethylsulfanyl)phenyl]sulfamoyl]acetic acid is O=C(O)CS(=O)(=O)Nc1ccccc1SCC(F)(F)F.
What is the InChIKey of 2-[[2-(2,2,2-trifluoroethylsulfanyl)phenyl]sulfamoyl]acetic acid?
The InChIKey is PDYHSARNVNLRBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO4S2/c11-10(12,13)6-19-8-4-2-1-3-7(8)14-20(17,18)5-9(15)16/h1-4,14H,5-6H2,(H,15,16).
What are the key properties of 2-[[2-(2,2,2-trifluoroethylsulfanyl)phenyl]sulfamoyl]acetic acid?
2-[[2-(2,2,2-trifluoroethylsulfanyl)phenyl]sulfamoyl]acetic acid has a molecular weight of 329.32 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,2,2-trifluoroethylsulfanyl)phenyl]sulfamoyl]acetic acid is sourced from PubChem (CID 43361756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).