4-fluoro-3-[2-(4-methoxyphenyl)ethylsulfamoyl]benzoic acid

C16H16FNO5S — CID 9160344

IUPAC4-fluoro-3-[2-(4-methoxyphenyl)ethylsulfamoyl]benzoic acid
SMILESCOc1ccc(CCNS(=O)(=O)c2cc(C(=O)O)ccc2F)cc1
InChIInChI=1S/C16H16FNO5S/c1-23-13-5-2-11(3-6-13)8-9-18-24(21,22)15-10-12(16(19)20)4-7-14(15)17/h2-7,10,18H,8-9H2,1H3,(H,19,20)
InChIKeyIEHDIDKRBLJBMW-UHFFFAOYSA-N
MW353.37 g/mol
LogP2.05
Rot. Bonds7

About 4-fluoro-3-[2-(4-methoxyphenyl)ethylsulfamoyl]benzoic acid

4-fluoro-3-[2-(4-methoxyphenyl)ethylsulfamoyl]benzoic acid (PubChem CID 9160344) has the molecular formula C16H16FNO5S and a molecular weight of 353.37 g/mol. Its IUPAC name is 4-fluoro-3-[2-(4-methoxyphenyl)ethylsulfamoyl]benzoic acid.

Molecular Properties

Compound Name4-fluoro-3-[2-(4-methoxyphenyl)ethylsulfamoyl]benzoic acid
PubChem CID9160344
Molecular FormulaC16H16FNO5S
Molecular Weight353.37 g/mol
Exact Mass353.07
IUPAC Name4-fluoro-3-[2-(4-methoxyphenyl)ethylsulfamoyl]benzoic acid
SMILESCOc1ccc(CCNS(=O)(=O)c2cc(C(=O)O)ccc2F)cc1
InChIInChI=1S/C16H16FNO5S/c1-23-13-5-2-11(3-6-13)8-9-18-24(21,22)15-10-12(16(19)20)4-7-14(15)17/h2-7,10,18H,8-9H2,1H3,(H,19,20)
InChIKeyIEHDIDKRBLJBMW-UHFFFAOYSA-N
XLogP2.05
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-fluoro-3-[2-(4-methoxyphenyl)ethylsulfamoyl]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

Related Compounds

3-[2-(4-methoxyphenyl)ethylsulfamoyl]-4-(methylamino)benzoic acid
CID 99988535
4-fluoro-3-(2-phenylethylsulfamoyl)benzoic acid
CID 3490945
3-[2-(4-methoxyphenyl)ethylsulfamoyl]-4-(propan-2-ylamino)benzoic acid
CID 99979401
3-[2-(4-methoxyphenyl)ethylsulfamoyl]-4-pyrrolidin-1-ylbenzoic acid
CID 99979468
3-[2-(4-fluorophenyl)ethylsulfamoyl]-4-methoxybenzoic acid
CID 1242504
4-[2-(4-methoxyphenyl)ethylamino]-3-(pentylsulfamoyl)benzoic acid
CID 99980531
3-[2-(4-methoxyphenyl)ethylsulfamoyl]-4-[[(2R)-pentan-2-yl]amino]benzoic acid
CID 99979486
3-[2-(4-methoxyphenyl)ethylsulfamoyl]-4-[[(1R)-1-phenylethyl]amino]benzoic acid
CID 99979450
3-(benzylsulfamoyl)-4-[2-(4-methoxyphenyl)ethylamino]benzoic acid
CID 99979035
3-(tert-butylsulfamoyl)-4-[2-(4-methoxyphenyl)ethylamino]benzoic acid
CID 99978018
3-[(2,5-dimethoxyphenyl)methylsulfamoyl]-4-fluorobenzoic acid
CID 9160130
3-[2-(4-ethylphenyl)ethylsulfamoyl]-4-fluorobenzoate
CID 9160269

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[2-(4-methoxyphenyl)ethylsulfamoyl]benzoic acid?
The IUPAC name of 4-fluoro-3-[2-(4-methoxyphenyl)ethylsulfamoyl]benzoic acid (CID 9160344) is 4-fluoro-3-[2-(4-methoxyphenyl)ethylsulfamoyl]benzoic acid.
What is the SMILES notation for 4-fluoro-3-[2-(4-methoxyphenyl)ethylsulfamoyl]benzoic acid?
The canonical SMILES for 4-fluoro-3-[2-(4-methoxyphenyl)ethylsulfamoyl]benzoic acid is COc1ccc(CCNS(=O)(=O)c2cc(C(=O)O)ccc2F)cc1.
What is the InChIKey of 4-fluoro-3-[2-(4-methoxyphenyl)ethylsulfamoyl]benzoic acid?
The InChIKey is IEHDIDKRBLJBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO5S/c1-23-13-5-2-11(3-6-13)8-9-18-24(21,22)15-10-12(16(19)20)4-7-14(15)17/h2-7,10,18H,8-9H2,1H3,(H,19,20).
What are the key properties of 4-fluoro-3-[2-(4-methoxyphenyl)ethylsulfamoyl]benzoic acid?
4-fluoro-3-[2-(4-methoxyphenyl)ethylsulfamoyl]benzoic acid has a molecular weight of 353.37 g/mol, XLogP of 2.05, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[2-(4-methoxyphenyl)ethylsulfamoyl]benzoic acid is sourced from PubChem (CID 9160344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).