3-[(2,5-difluorophenyl)sulfamoyl]-4-propan-2-ylbenzoic acid

C16H15F2NO4S — CID 60532983

IUPAC3-[(2,5-difluorophenyl)sulfamoyl]-4-propan-2-ylbenzoic acid
SMILESCC(C)c1ccc(C(=O)O)cc1S(=O)(=O)Nc1cc(F)ccc1F
InChIInChI=1S/C16H15F2NO4S/c1-9(2)12-5-3-10(16(20)21)7-15(12)24(22,23)19-14-8-11(17)4-6-13(14)18/h3-9,19H,1-2H3,(H,20,21)
InChIKeyCUFOXRNPQDUEGI-UHFFFAOYSA-N
MW355.36 g/mol
LogP3.59
Rot. Bonds5

About 3-[(2,5-difluorophenyl)sulfamoyl]-4-propan-2-ylbenzoic acid

3-[(2,5-difluorophenyl)sulfamoyl]-4-propan-2-ylbenzoic acid (PubChem CID 60532983) has the molecular formula C16H15F2NO4S and a molecular weight of 355.36 g/mol. Its IUPAC name is 3-[(2,5-difluorophenyl)sulfamoyl]-4-propan-2-ylbenzoic acid.

Molecular Properties

Compound Name3-[(2,5-difluorophenyl)sulfamoyl]-4-propan-2-ylbenzoic acid
PubChem CID60532983
Molecular FormulaC16H15F2NO4S
Molecular Weight355.36 g/mol
Exact Mass355.07
IUPAC Name3-[(2,5-difluorophenyl)sulfamoyl]-4-propan-2-ylbenzoic acid
SMILESCC(C)c1ccc(C(=O)O)cc1S(=O)(=O)Nc1cc(F)ccc1F
InChIInChI=1S/C16H15F2NO4S/c1-9(2)12-5-3-10(16(20)21)7-15(12)24(22,23)19-14-8-11(17)4-6-13(14)18/h3-9,19H,1-2H3,(H,20,21)
InChIKeyCUFOXRNPQDUEGI-UHFFFAOYSA-N
XLogP3.59
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(2,5-difluorophenyl)sulfamoyl]-4-propan-2-ylbenzoic 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-(phenylsulfamoyl)-4-propan-2-ylbenzoic acid
CID 56797596
3-[(2-iodophenyl)sulfamoyl]-4-propan-2-ylbenzoic acid
CID 60532852
4-fluoro-3-[(2-methylphenyl)sulfonylamino]benzoic acid
CID 63000199
3-[(1-methyltriazol-4-yl)sulfamoyl]-4-propan-2-ylbenzoic acid
CID 166214922
4-fluoro-3-(methanesulfonamido)benzoic acid
CID 47002814
4-fluoro-3-(2-methylpropylsulfonylamino)benzoic acid
CID 63000374
4-fluoro-3-(3-methylbutan-2-ylsulfamoyl)benzoic acid
CID 43084932
3-(2-cyanopropylsulfamoyl)-4-fluorobenzoic acid
CID 62668422
N-(5-chloro-2-fluorophenyl)-2,5-difluorobenzenesulfonamide
CID 9238961
4-fluoro-3-(3-methylbutylsulfonylamino)benzoic acid
CID 63820852
3-[(4-fluorophenyl)sulfonylamino]-4-methylbenzoic acid
CID 2341479
3-[(2,5-difluorophenyl)sulfonylamino]-4-(4-methylpiperidin-1-yl)benzoic acid
CID 46292347

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-difluorophenyl)sulfamoyl]-4-propan-2-ylbenzoic acid?
The IUPAC name of 3-[(2,5-difluorophenyl)sulfamoyl]-4-propan-2-ylbenzoic acid (CID 60532983) is 3-[(2,5-difluorophenyl)sulfamoyl]-4-propan-2-ylbenzoic acid.
What is the SMILES notation for 3-[(2,5-difluorophenyl)sulfamoyl]-4-propan-2-ylbenzoic acid?
The canonical SMILES for 3-[(2,5-difluorophenyl)sulfamoyl]-4-propan-2-ylbenzoic acid is CC(C)c1ccc(C(=O)O)cc1S(=O)(=O)Nc1cc(F)ccc1F.
What is the InChIKey of 3-[(2,5-difluorophenyl)sulfamoyl]-4-propan-2-ylbenzoic acid?
The InChIKey is CUFOXRNPQDUEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO4S/c1-9(2)12-5-3-10(16(20)21)7-15(12)24(22,23)19-14-8-11(17)4-6-13(14)18/h3-9,19H,1-2H3,(H,20,21).
What are the key properties of 3-[(2,5-difluorophenyl)sulfamoyl]-4-propan-2-ylbenzoic acid?
3-[(2,5-difluorophenyl)sulfamoyl]-4-propan-2-ylbenzoic acid has a molecular weight of 355.36 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-difluorophenyl)sulfamoyl]-4-propan-2-ylbenzoic acid is sourced from PubChem (CID 60532983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).