2-[2-[(2-fluoro-4-methylphenyl)sulfonylamino]ethyl]benzoic acid

C16H16FNO4S — CID 154862951

IUPAC2-[2-[(2-fluoro-4-methylphenyl)sulfonylamino]ethyl]benzoic acid
SMILESCc1ccc(S(=O)(=O)NCCc2ccccc2C(=O)O)c(F)c1
InChIInChI=1S/C16H16FNO4S/c1-11-6-7-15(14(17)10-11)23(21,22)18-9-8-12-4-2-3-5-13(12)16(19)20/h2-7,10,18H,8-9H2,1H3,(H,19,20)
InChIKeyCIBNUXTUSZVGPO-UHFFFAOYSA-N
MW337.37 g/mol
LogP2.35
Rot. Bonds6

About 2-[2-[(2-fluoro-4-methylphenyl)sulfonylamino]ethyl]benzoic acid

2-[2-[(2-fluoro-4-methylphenyl)sulfonylamino]ethyl]benzoic acid (PubChem CID 154862951) has the molecular formula C16H16FNO4S and a molecular weight of 337.37 g/mol. Its IUPAC name is 2-[2-[(2-fluoro-4-methylphenyl)sulfonylamino]ethyl]benzoic acid.

Molecular Properties

Compound Name2-[2-[(2-fluoro-4-methylphenyl)sulfonylamino]ethyl]benzoic acid
PubChem CID154862951
Molecular FormulaC16H16FNO4S
Molecular Weight337.37 g/mol
Exact Mass337.08
IUPAC Name2-[2-[(2-fluoro-4-methylphenyl)sulfonylamino]ethyl]benzoic acid
SMILESCc1ccc(S(=O)(=O)NCCc2ccccc2C(=O)O)c(F)c1
InChIInChI=1S/C16H16FNO4S/c1-11-6-7-15(14(17)10-11)23(21,22)18-9-8-12-4-2-3-5-13(12)16(19)20/h2-7,10,18H,8-9H2,1H3,(H,19,20)
InChIKeyCIBNUXTUSZVGPO-UHFFFAOYSA-N
XLogP2.35
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[2-[(2-fluoro-4-methylphenyl)sulfonylamino]ethyl]benzoic 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-[2-[(2-fluoro-4-methylphenyl)sulfonylamino]ethyl]benzoic acid?
The IUPAC name of 2-[2-[(2-fluoro-4-methylphenyl)sulfonylamino]ethyl]benzoic acid (CID 154862951) is 2-[2-[(2-fluoro-4-methylphenyl)sulfonylamino]ethyl]benzoic acid.
What is the SMILES notation for 2-[2-[(2-fluoro-4-methylphenyl)sulfonylamino]ethyl]benzoic acid?
The canonical SMILES for 2-[2-[(2-fluoro-4-methylphenyl)sulfonylamino]ethyl]benzoic acid is Cc1ccc(S(=O)(=O)NCCc2ccccc2C(=O)O)c(F)c1.
What is the InChIKey of 2-[2-[(2-fluoro-4-methylphenyl)sulfonylamino]ethyl]benzoic acid?
The InChIKey is CIBNUXTUSZVGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO4S/c1-11-6-7-15(14(17)10-11)23(21,22)18-9-8-12-4-2-3-5-13(12)16(19)20/h2-7,10,18H,8-9H2,1H3,(H,19,20).
What are the key properties of 2-[2-[(2-fluoro-4-methylphenyl)sulfonylamino]ethyl]benzoic acid?
2-[2-[(2-fluoro-4-methylphenyl)sulfonylamino]ethyl]benzoic acid has a molecular weight of 337.37 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-fluoro-4-methylphenyl)sulfonylamino]ethyl]benzoic acid is sourced from PubChem (CID 154862951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).