3-[3-[2-[(2,4-difluorophenyl)sulfonylamino]phenyl]propyl]benzoic acid

C22H19F2NO4S — CID 68691946

IUPAC3-[3-[2-[(2,4-difluorophenyl)sulfonylamino]phenyl]propyl]benzoic acid
SMILESO=C(O)c1cccc(CCCc2ccccc2NS(=O)(=O)c2ccc(F)cc2F)c1
InChIInChI=1S/C22H19F2NO4S/c23-18-11-12-21(19(24)14-18)30(28,29)25-20-10-2-1-7-16(20)8-3-5-15-6-4-9-17(13-15)22(26)27/h1-2,4,6-7,9-14,25H,3,5,8H2,(H,26,27)
InChIKeyVTCOKYAOQWYQCT-UHFFFAOYSA-N
MW431.46 g/mol
LogP4.64
Rot. Bonds8

About 3-[3-[2-[(2,4-difluorophenyl)sulfonylamino]phenyl]propyl]benzoic acid

3-[3-[2-[(2,4-difluorophenyl)sulfonylamino]phenyl]propyl]benzoic acid (PubChem CID 68691946) has the molecular formula C22H19F2NO4S and a molecular weight of 431.46 g/mol. Its IUPAC name is 3-[3-[2-[(2,4-difluorophenyl)sulfonylamino]phenyl]propyl]benzoic acid.

Molecular Properties

Compound Name3-[3-[2-[(2,4-difluorophenyl)sulfonylamino]phenyl]propyl]benzoic acid
PubChem CID68691946
Molecular FormulaC22H19F2NO4S
Molecular Weight431.46 g/mol
Exact Mass431.10
IUPAC Name3-[3-[2-[(2,4-difluorophenyl)sulfonylamino]phenyl]propyl]benzoic acid
SMILESO=C(O)c1cccc(CCCc2ccccc2NS(=O)(=O)c2ccc(F)cc2F)c1
InChIInChI=1S/C22H19F2NO4S/c23-18-11-12-21(19(24)14-18)30(28,29)25-20-10-2-1-7-16(20)8-3-5-15-6-4-9-17(13-15)22(26)27/h1-2,4,6-7,9-14,25H,3,5,8H2,(H,26,27)
InChIKeyVTCOKYAOQWYQCT-UHFFFAOYSA-N
XLogP4.64
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.46
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-[2-[(4-ethylphenyl)sulfonylamino]phenyl]propyl]benzoic acid
CID 68688402
3-[2-[2-[(2,6-difluorophenyl)sulfonylamino]phenyl]ethyl]benzoic acid;3-[2-[2-[(5-fluoro-2-methylphenyl)sulfonylamino]phenyl]ethyl]benzoic acid
CID 158528595
3-[3-[2-(benzylsulfonylamino)phenyl]propyl]benzoic acid;3-[3-[2-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]propyl]benzoic acid;3-[3-[2-[(2,4-dimethylphenyl)sulfonylamino]phenyl]propyl]benzoic acid
CID 159074823
3-[2-[2-(hexadecylsulfonylamino)phenyl]ethyl]benzoic acid
CID 68691257
2-[3-[2-[[2-(trifluoromethyl)phenyl]sulfonylamino]phenyl]propyl]benzoic acid
CID 68691483
4-[2-[2-[(2,4-difluorophenyl)sulfonylamino]phenoxy]ethoxy]benzoic acid;4-[2-[2-[(2-fluorophenyl)sulfonylamino]phenoxy]ethoxy]benzoic acid
CID 158940968
3-fluoro-4-(phenylsulfamoyl)benzoic acid
CID 79040936
3-[2-[(2-fluorophenyl)methylsulfonylamino]ethyl]benzoic acid
CID 166224473
3-[(2-fluorophenyl)methyl]benzoic acid
CID 86242879
N-(2,4-difluorophenyl)-2,4-difluorobenzenesulfonamide
CID 3312178
3-[[2-(hydroxymethyl)phenyl]sulfamoyl]benzoic acid
CID 43218183
2,4-difluoro-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 3851198

Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-[(2,4-difluorophenyl)sulfonylamino]phenyl]propyl]benzoic acid?
The IUPAC name of 3-[3-[2-[(2,4-difluorophenyl)sulfonylamino]phenyl]propyl]benzoic acid (CID 68691946) is 3-[3-[2-[(2,4-difluorophenyl)sulfonylamino]phenyl]propyl]benzoic acid.
What is the SMILES notation for 3-[3-[2-[(2,4-difluorophenyl)sulfonylamino]phenyl]propyl]benzoic acid?
The canonical SMILES for 3-[3-[2-[(2,4-difluorophenyl)sulfonylamino]phenyl]propyl]benzoic acid is O=C(O)c1cccc(CCCc2ccccc2NS(=O)(=O)c2ccc(F)cc2F)c1.
What is the InChIKey of 3-[3-[2-[(2,4-difluorophenyl)sulfonylamino]phenyl]propyl]benzoic acid?
The InChIKey is VTCOKYAOQWYQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2NO4S/c23-18-11-12-21(19(24)14-18)30(28,29)25-20-10-2-1-7-16(20)8-3-5-15-6-4-9-17(13-15)22(26)27/h1-2,4,6-7,9-14,25H,3,5,8H2,(H,26,27).
What are the key properties of 3-[3-[2-[(2,4-difluorophenyl)sulfonylamino]phenyl]propyl]benzoic acid?
3-[3-[2-[(2,4-difluorophenyl)sulfonylamino]phenyl]propyl]benzoic acid has a molecular weight of 431.46 g/mol, XLogP of 4.64, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-[(2,4-difluorophenyl)sulfonylamino]phenyl]propyl]benzoic acid is sourced from PubChem (CID 68691946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).