3-[2-(4-fluorophenyl)ethylsulfamoyl]-4-methoxybenzoic acid

C16H16FNO5S — CID 1242504

IUPAC3-[2-(4-fluorophenyl)ethylsulfamoyl]-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)cc1S(=O)(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C16H16FNO5S/c1-23-14-7-4-12(16(19)20)10-15(14)24(21,22)18-9-8-11-2-5-13(17)6-3-11/h2-7,10,18H,8-9H2,1H3,(H,19,20)
InChIKeyRSNILIJSLQHBIQ-UHFFFAOYSA-N
MW353.37 g/mol
LogP2.05
Rot. Bonds7

About 3-[2-(4-fluorophenyl)ethylsulfamoyl]-4-methoxybenzoic acid

3-[2-(4-fluorophenyl)ethylsulfamoyl]-4-methoxybenzoic acid (PubChem CID 1242504) has the molecular formula C16H16FNO5S and a molecular weight of 353.37 g/mol. Its IUPAC name is 3-[2-(4-fluorophenyl)ethylsulfamoyl]-4-methoxybenzoic acid.

Molecular Properties

Compound Name3-[2-(4-fluorophenyl)ethylsulfamoyl]-4-methoxybenzoic acid
PubChem CID1242504
Molecular FormulaC16H16FNO5S
Molecular Weight353.37 g/mol
Exact Mass353.07
IUPAC Name3-[2-(4-fluorophenyl)ethylsulfamoyl]-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)cc1S(=O)(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C16H16FNO5S/c1-23-14-7-4-12(16(19)20)10-15(14)24(21,22)18-9-8-11-2-5-13(17)6-3-11/h2-7,10,18H,8-9H2,1H3,(H,19,20)
InChIKeyRSNILIJSLQHBIQ-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 3-[2-(4-fluorophenyl)ethylsulfamoyl]-4-methoxybenzoic 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-fluoro-3-[2-(4-methoxyphenyl)ethylsulfamoyl]benzoic acid
CID 9160344
N-[2-(4-fluorophenyl)ethyl]-2-methoxybenzenesulfonamide
CID 51170044
4-(tert-butylamino)-3-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]benzoic acid
CID 99979525
3-(2,2-dimethylpropylsulfamoyl)-4-methoxybenzoic acid
CID 61168021
N-[2-(4-fluorophenyl)ethyl]-2-methoxy-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 110295662
3-(benzylsulfamoyl)-4-methoxybenzoic acid
CID 693909
4-fluoro-3-(2-phenylethylsulfamoyl)benzoic acid
CID 3490945
3-[2-(4-methoxyphenyl)ethylsulfamoyl]-4-(methylamino)benzoic acid
CID 99988535
3-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]-4-pyrrolidin-1-ylbenzoic acid
CID 99979592
3-(cyclopropylmethylsulfamoyl)-4-methoxybenzoic acid
CID 28511770
3-[(3-hydroxy-2,2-dimethylpropyl)sulfamoyl]-4-methoxybenzoic acid
CID 115358266
3-[2-(4-methoxyphenyl)ethylsulfamoyl]-4-(propan-2-ylamino)benzoic acid
CID 99979401

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluorophenyl)ethylsulfamoyl]-4-methoxybenzoic acid?
The IUPAC name of 3-[2-(4-fluorophenyl)ethylsulfamoyl]-4-methoxybenzoic acid (CID 1242504) is 3-[2-(4-fluorophenyl)ethylsulfamoyl]-4-methoxybenzoic acid.
What is the SMILES notation for 3-[2-(4-fluorophenyl)ethylsulfamoyl]-4-methoxybenzoic acid?
The canonical SMILES for 3-[2-(4-fluorophenyl)ethylsulfamoyl]-4-methoxybenzoic acid is COc1ccc(C(=O)O)cc1S(=O)(=O)NCCc1ccc(F)cc1.
What is the InChIKey of 3-[2-(4-fluorophenyl)ethylsulfamoyl]-4-methoxybenzoic acid?
The InChIKey is RSNILIJSLQHBIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO5S/c1-23-14-7-4-12(16(19)20)10-15(14)24(21,22)18-9-8-11-2-5-13(17)6-3-11/h2-7,10,18H,8-9H2,1H3,(H,19,20).
What are the key properties of 3-[2-(4-fluorophenyl)ethylsulfamoyl]-4-methoxybenzoic acid?
3-[2-(4-fluorophenyl)ethylsulfamoyl]-4-methoxybenzoic 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 3-[2-(4-fluorophenyl)ethylsulfamoyl]-4-methoxybenzoic acid is sourced from PubChem (CID 1242504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).