2-[N-naphthalen-1-ylsulfonyl-3-(trifluoromethyl)anilino]acetic acid

C19H14F3NO4S — CID 86061923

IUPAC2-[N-naphthalen-1-ylsulfonyl-3-(trifluoromethyl)anilino]acetic acid
SMILESO=C(O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C19H14F3NO4S/c20-19(21,22)14-7-4-8-15(11-14)23(12-18(24)25)28(26,27)17-10-3-6-13-5-1-2-9-16(13)17/h1-11H,12H2,(H,24,25)
InChIKeyZIMDOWZXRCGYPG-UHFFFAOYSA-N
MW409.39 g/mol
LogP4.14
Rot. Bonds5

About 2-[N-naphthalen-1-ylsulfonyl-3-(trifluoromethyl)anilino]acetic acid

2-[N-naphthalen-1-ylsulfonyl-3-(trifluoromethyl)anilino]acetic acid (PubChem CID 86061923) has the molecular formula C19H14F3NO4S and a molecular weight of 409.39 g/mol. Its IUPAC name is 2-[N-naphthalen-1-ylsulfonyl-3-(trifluoromethyl)anilino]acetic acid.

Molecular Properties

Compound Name2-[N-naphthalen-1-ylsulfonyl-3-(trifluoromethyl)anilino]acetic acid
PubChem CID86061923
Molecular FormulaC19H14F3NO4S
Molecular Weight409.39 g/mol
Exact Mass409.06
IUPAC Name2-[N-naphthalen-1-ylsulfonyl-3-(trifluoromethyl)anilino]acetic acid
SMILESO=C(O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C19H14F3NO4S/c20-19(21,22)14-7-4-8-15(11-14)23(12-18(24)25)28(26,27)17-10-3-6-13-5-1-2-9-16(13)17/h1-11H,12H2,(H,24,25)
InChIKeyZIMDOWZXRCGYPG-UHFFFAOYSA-N
XLogP4.14
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.39
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[N-naphthalen-1-ylsulfonyl-3-(trifluoromethyl)anilino]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

Frequently Asked Questions

What is the IUPAC name of 2-[N-naphthalen-1-ylsulfonyl-3-(trifluoromethyl)anilino]acetic acid?
The IUPAC name of 2-[N-naphthalen-1-ylsulfonyl-3-(trifluoromethyl)anilino]acetic acid (CID 86061923) is 2-[N-naphthalen-1-ylsulfonyl-3-(trifluoromethyl)anilino]acetic acid.
What is the SMILES notation for 2-[N-naphthalen-1-ylsulfonyl-3-(trifluoromethyl)anilino]acetic acid?
The canonical SMILES for 2-[N-naphthalen-1-ylsulfonyl-3-(trifluoromethyl)anilino]acetic acid is O=C(O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cccc2ccccc12.
What is the InChIKey of 2-[N-naphthalen-1-ylsulfonyl-3-(trifluoromethyl)anilino]acetic acid?
The InChIKey is ZIMDOWZXRCGYPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3NO4S/c20-19(21,22)14-7-4-8-15(11-14)23(12-18(24)25)28(26,27)17-10-3-6-13-5-1-2-9-16(13)17/h1-11H,12H2,(H,24,25).
What are the key properties of 2-[N-naphthalen-1-ylsulfonyl-3-(trifluoromethyl)anilino]acetic acid?
2-[N-naphthalen-1-ylsulfonyl-3-(trifluoromethyl)anilino]acetic acid has a molecular weight of 409.39 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-naphthalen-1-ylsulfonyl-3-(trifluoromethyl)anilino]acetic acid is sourced from PubChem (CID 86061923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).