2-[(3,5-dichloro-2-hydroxyphenyl)sulfonylamino]-5-fluoro-4-phenylbenzoic acid

C19H12Cl2FNO5S — CID 146545806

IUPAC2-[(3,5-dichloro-2-hydroxyphenyl)sulfonylamino]-5-fluoro-4-phenylbenzoic acid
SMILESO=C(O)c1cc(F)c(-c2ccccc2)cc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C19H12Cl2FNO5S/c20-11-6-14(21)18(24)17(7-11)29(27,28)23-16-9-12(10-4-2-1-3-5-10)15(22)8-13(16)19(25)26/h1-9,23-24H,(H,25,26)
InChIKeyGIDRNFOZAUXJPE-UHFFFAOYSA-N
MW456.28 g/mol
LogP5.00
Rot. Bonds5

About 2-[(3,5-dichloro-2-hydroxyphenyl)sulfonylamino]-5-fluoro-4-phenylbenzoic acid

2-[(3,5-dichloro-2-hydroxyphenyl)sulfonylamino]-5-fluoro-4-phenylbenzoic acid (PubChem CID 146545806) has the molecular formula C19H12Cl2FNO5S and a molecular weight of 456.28 g/mol. Its IUPAC name is 2-[(3,5-dichloro-2-hydroxyphenyl)sulfonylamino]-5-fluoro-4-phenylbenzoic acid.

Molecular Properties

Compound Name2-[(3,5-dichloro-2-hydroxyphenyl)sulfonylamino]-5-fluoro-4-phenylbenzoic acid
PubChem CID146545806
Molecular FormulaC19H12Cl2FNO5S
Molecular Weight456.28 g/mol
Exact Mass454.98
IUPAC Name2-[(3,5-dichloro-2-hydroxyphenyl)sulfonylamino]-5-fluoro-4-phenylbenzoic acid
SMILESO=C(O)c1cc(F)c(-c2ccccc2)cc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C19H12Cl2FNO5S/c20-11-6-14(21)18(24)17(7-11)29(27,28)23-16-9-12(10-4-2-1-3-5-10)15(22)8-13(16)19(25)26/h1-9,23-24H,(H,25,26)
InChIKeyGIDRNFOZAUXJPE-UHFFFAOYSA-N
XLogP5.00
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.28
LogP ≤ 55.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_A(43)', 'substructure': 'N/A'}

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Related Compounds

3,5-dichloro-N-(2,4-difluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide
CID 146545747
2-[(3,5-dichlorophenyl)sulfonylamino]-5-fluoro-4-phenylbenzoic acid
CID 146545847
3-chloro-5-[(2,4-difluoro-5-phenylphenyl)sulfamoyl]-4-hydroxy-N-methylbenzamide
CID 146545980
3-chloro-N-(2,4-difluoro-5-phenylphenyl)-2-hydroxy-5-(trifluoromethyl)benzenesulfonamide
CID 146545724
ethyl 3-chloro-5-[(2,4-difluoro-5-phenylphenyl)sulfamoyl]-4-hydroxybenzoate
CID 146545997
3,5-dichloro-2-hydroxy-N-(2-methoxy-4-phenylphenyl)benzenesulfonamide
CID 146545964
3-chloro-5-[(2,3-difluoro-5-phenylphenyl)sulfamoyl]-4-hydroxybenzoic acid
CID 146545712
2-hydroxy-5-methyl-3-[(2-phenylphenyl)sulfamoyl]benzoic acid
CID 166324508
3-[(2,4-dichlorophenyl)sulfamoyl]-2-hydroxy-5-methylbenzoic acid
CID 51127324
3-chloro-N-(2,4-difluoro-5-phenylphenyl)-5-methylsulfonylbenzenesulfonamide
CID 146545776
5-chloro-3-cyano-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide
CID 146545879
3,5-dichloro-2-hydroxy-N-(2,3,4,5-tetrachlorophenyl)benzenesulfonamide
CID 22763232

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dichloro-2-hydroxyphenyl)sulfonylamino]-5-fluoro-4-phenylbenzoic acid?
The IUPAC name of 2-[(3,5-dichloro-2-hydroxyphenyl)sulfonylamino]-5-fluoro-4-phenylbenzoic acid (CID 146545806) is 2-[(3,5-dichloro-2-hydroxyphenyl)sulfonylamino]-5-fluoro-4-phenylbenzoic acid.
What is the SMILES notation for 2-[(3,5-dichloro-2-hydroxyphenyl)sulfonylamino]-5-fluoro-4-phenylbenzoic acid?
The canonical SMILES for 2-[(3,5-dichloro-2-hydroxyphenyl)sulfonylamino]-5-fluoro-4-phenylbenzoic acid is O=C(O)c1cc(F)c(-c2ccccc2)cc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1O.
What is the InChIKey of 2-[(3,5-dichloro-2-hydroxyphenyl)sulfonylamino]-5-fluoro-4-phenylbenzoic acid?
The InChIKey is GIDRNFOZAUXJPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl2FNO5S/c20-11-6-14(21)18(24)17(7-11)29(27,28)23-16-9-12(10-4-2-1-3-5-10)15(22)8-13(16)19(25)26/h1-9,23-24H,(H,25,26).
What are the key properties of 2-[(3,5-dichloro-2-hydroxyphenyl)sulfonylamino]-5-fluoro-4-phenylbenzoic acid?
2-[(3,5-dichloro-2-hydroxyphenyl)sulfonylamino]-5-fluoro-4-phenylbenzoic acid has a molecular weight of 456.28 g/mol, XLogP of 5.00, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dichloro-2-hydroxyphenyl)sulfonylamino]-5-fluoro-4-phenylbenzoic acid is sourced from PubChem (CID 146545806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).