2-[2-methyl-4-(trifluoromethylsulfonylamino)phenyl]acetic acid

C10H10F3NO4S — CID 10334770

IUPAC2-[2-methyl-4-(trifluoromethylsulfonylamino)phenyl]acetic acid
SMILESCc1cc(NS(=O)(=O)C(F)(F)F)ccc1CC(=O)O
InChIInChI=1S/C10H10F3NO4S/c1-6-4-8(3-2-7(6)5-9(15)16)14-19(17,18)10(11,12)13/h2-4,14H,5H2,1H3,(H,15,16)
InChIKeyDZGOOVJENNOITA-UHFFFAOYSA-N
MW297.25 g/mol
LogP1.88
Rot. Bonds4

About 2-[2-methyl-4-(trifluoromethylsulfonylamino)phenyl]acetic acid

2-[2-methyl-4-(trifluoromethylsulfonylamino)phenyl]acetic acid (PubChem CID 10334770) has the molecular formula C10H10F3NO4S and a molecular weight of 297.25 g/mol. Its IUPAC name is 2-[2-methyl-4-(trifluoromethylsulfonylamino)phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-methyl-4-(trifluoromethylsulfonylamino)phenyl]acetic acid
PubChem CID10334770
Molecular FormulaC10H10F3NO4S
Molecular Weight297.25 g/mol
Exact Mass297.03
IUPAC Name2-[2-methyl-4-(trifluoromethylsulfonylamino)phenyl]acetic acid
SMILESCc1cc(NS(=O)(=O)C(F)(F)F)ccc1CC(=O)O
InChIInChI=1S/C10H10F3NO4S/c1-6-4-8(3-2-7(6)5-9(15)16)14-19(17,18)10(11,12)13/h2-4,14H,5H2,1H3,(H,15,16)
InChIKeyDZGOOVJENNOITA-UHFFFAOYSA-N
XLogP1.88
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.25
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[2-methyl-4-(trifluoromethylsulfonylamino)phenyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Aminohydratropic acid
CID 43026
2-(4-Aminophenyl)butanoic acid
CID 34655
4-Benzenesulfonylaminophenylacetic acid
CID 10446995
2-[4-(Methanesulfonamido)phenyl]propanoic acid
CID 44427700
2-[4-(Propan-2-ylsulfonylamino)phenyl]propanoic acid
CID 44427701
2-[4-(Benzenesulfonamido)phenyl]propanoic acid
CID 44427702
2-(4-{[(Trifluoromethyl)sulfonyl]amino}phenyl)propanoicacid
CID 44427710
(3-((Methylsulfonyl)amino)phenyl)acetic acid
CID 2773885
4-Methanesulfonamido-2-methylbenzoic acid
CID 61827815
2-(4-Amino-2,5-difluorophenyl)acetic acid
CID 67515913
1-(4-Methanesulfonamidophenyl)cyclohexane-1-carboxylic acid
CID 90488029
3-[4-[(Methanesulfonyl)amino]phenyl]propionic acid
CID 13528372

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-4-(trifluoromethylsulfonylamino)phenyl]acetic acid?
The IUPAC name of 2-[2-methyl-4-(trifluoromethylsulfonylamino)phenyl]acetic acid (CID 10334770) is 2-[2-methyl-4-(trifluoromethylsulfonylamino)phenyl]acetic acid.
What is the SMILES notation for 2-[2-methyl-4-(trifluoromethylsulfonylamino)phenyl]acetic acid?
The canonical SMILES for 2-[2-methyl-4-(trifluoromethylsulfonylamino)phenyl]acetic acid is Cc1cc(NS(=O)(=O)C(F)(F)F)ccc1CC(=O)O.
What is the InChIKey of 2-[2-methyl-4-(trifluoromethylsulfonylamino)phenyl]acetic acid?
The InChIKey is DZGOOVJENNOITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO4S/c1-6-4-8(3-2-7(6)5-9(15)16)14-19(17,18)10(11,12)13/h2-4,14H,5H2,1H3,(H,15,16).
What are the key properties of 2-[2-methyl-4-(trifluoromethylsulfonylamino)phenyl]acetic acid?
2-[2-methyl-4-(trifluoromethylsulfonylamino)phenyl]acetic acid has a molecular weight of 297.25 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-4-(trifluoromethylsulfonylamino)phenyl]acetic acid is sourced from PubChem (CID 10334770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).