5-fluoro-2-[[4-(3-methylphenyl)phenyl]sulfonylamino]benzoic acid

C20H16FNO4S — CID 171346728

IUPAC5-fluoro-2-[[4-(3-methylphenyl)phenyl]sulfonylamino]benzoic acid
SMILESCc1cccc(-c2ccc(S(=O)(=O)Nc3ccc(F)cc3C(=O)O)cc2)c1
InChIInChI=1S/C20H16FNO4S/c1-13-3-2-4-15(11-13)14-5-8-17(9-6-14)27(25,26)22-19-10-7-16(21)12-18(19)20(23)24/h2-12,22H,1H3,(H,23,24)
InChIKeySJDRDKLPZUGCGC-UHFFFAOYSA-N
MW385.42 g/mol
LogP4.30
Rot. Bonds5

About 5-fluoro-2-[[4-(3-methylphenyl)phenyl]sulfonylamino]benzoic acid

5-fluoro-2-[[4-(3-methylphenyl)phenyl]sulfonylamino]benzoic acid (PubChem CID 171346728) has the molecular formula C20H16FNO4S and a molecular weight of 385.42 g/mol. Its IUPAC name is 5-fluoro-2-[[4-(3-methylphenyl)phenyl]sulfonylamino]benzoic acid.

Molecular Properties

Compound Name5-fluoro-2-[[4-(3-methylphenyl)phenyl]sulfonylamino]benzoic acid
PubChem CID171346728
Molecular FormulaC20H16FNO4S
Molecular Weight385.42 g/mol
Exact Mass385.08
IUPAC Name5-fluoro-2-[[4-(3-methylphenyl)phenyl]sulfonylamino]benzoic acid
SMILESCc1cccc(-c2ccc(S(=O)(=O)Nc3ccc(F)cc3C(=O)O)cc2)c1
InChIInChI=1S/C20H16FNO4S/c1-13-3-2-4-15(11-13)14-5-8-17(9-6-14)27(25,26)22-19-10-7-16(21)12-18(19)20(23)24/h2-12,22H,1H3,(H,23,24)
InChIKeySJDRDKLPZUGCGC-UHFFFAOYSA-N
XLogP4.30
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-fluoro-2-[[4-(3-methylphenyl)phenyl]sulfonylamino]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

5-[5-fluoro-2-[(4-methylphenyl)sulfonylamino]phenoxy]-2-[(4-methylphenyl)sulfonylamino]benzoic acid
CID 59566201
2-[[3-(4-fluorophenyl)phenyl]sulfonylamino]benzoic acid
CID 123387963
N-[4-fluoro-2-(2-hydroxyacetyl)phenyl]-4-methylbenzenesulfonamide
CID 153295632
2-[(4-ethylphenyl)sulfonylamino]-5-methylbenzoic acid
CID 51114828
4-[(2-carboxy-4-fluorophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 51106121
4-methyl-N-[4-methyl-2-(4-methylbenzoyl)phenyl]benzenesulfonamide
CID 13139068
2-[[5-methyl-2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzoic acid
CID 23378599
4-[[2-(benzenesulfonamido)-5-fluorobenzoyl]amino]benzoic acid
CID 12017257
2-[(2-fluoro-5-methylphenyl)sulfonylamino]-5-methylbenzoic acid
CID 51114826
1-N-methyl-4-N-[4-(3-methylphenyl)phenyl]benzene-1,4-disulfonamide
CID 167965219
N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 6470682
2-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-5-fluorobenzoic acid
CID 103099620

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[[4-(3-methylphenyl)phenyl]sulfonylamino]benzoic acid?
The IUPAC name of 5-fluoro-2-[[4-(3-methylphenyl)phenyl]sulfonylamino]benzoic acid (CID 171346728) is 5-fluoro-2-[[4-(3-methylphenyl)phenyl]sulfonylamino]benzoic acid.
What is the SMILES notation for 5-fluoro-2-[[4-(3-methylphenyl)phenyl]sulfonylamino]benzoic acid?
The canonical SMILES for 5-fluoro-2-[[4-(3-methylphenyl)phenyl]sulfonylamino]benzoic acid is Cc1cccc(-c2ccc(S(=O)(=O)Nc3ccc(F)cc3C(=O)O)cc2)c1.
What is the InChIKey of 5-fluoro-2-[[4-(3-methylphenyl)phenyl]sulfonylamino]benzoic acid?
The InChIKey is SJDRDKLPZUGCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FNO4S/c1-13-3-2-4-15(11-13)14-5-8-17(9-6-14)27(25,26)22-19-10-7-16(21)12-18(19)20(23)24/h2-12,22H,1H3,(H,23,24).
What are the key properties of 5-fluoro-2-[[4-(3-methylphenyl)phenyl]sulfonylamino]benzoic acid?
5-fluoro-2-[[4-(3-methylphenyl)phenyl]sulfonylamino]benzoic acid has a molecular weight of 385.42 g/mol, XLogP of 4.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[[4-(3-methylphenyl)phenyl]sulfonylamino]benzoic acid is sourced from PubChem (CID 171346728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).