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

C19H12Cl2FNO4S — CID 146545847

IUPAC2-[(3,5-dichlorophenyl)sulfonylamino]-5-fluoro-4-phenylbenzoic acid
SMILESO=C(O)c1cc(F)c(-c2ccccc2)cc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C19H12Cl2FNO4S/c20-12-6-13(21)8-14(7-12)28(26,27)23-18-10-15(11-4-2-1-3-5-11)17(22)9-16(18)19(24)25/h1-10,23H,(H,24,25)
InChIKeyFGSWYONWAUFHHL-UHFFFAOYSA-N
MW440.28 g/mol
LogP5.30
Rot. Bonds5

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

2-[(3,5-dichlorophenyl)sulfonylamino]-5-fluoro-4-phenylbenzoic acid (PubChem CID 146545847) has the molecular formula C19H12Cl2FNO4S and a molecular weight of 440.28 g/mol. Its IUPAC name is 2-[(3,5-dichlorophenyl)sulfonylamino]-5-fluoro-4-phenylbenzoic acid.

Molecular Properties

Compound Name2-[(3,5-dichlorophenyl)sulfonylamino]-5-fluoro-4-phenylbenzoic acid
PubChem CID146545847
Molecular FormulaC19H12Cl2FNO4S
Molecular Weight440.28 g/mol
Exact Mass438.98
IUPAC Name2-[(3,5-dichlorophenyl)sulfonylamino]-5-fluoro-4-phenylbenzoic acid
SMILESO=C(O)c1cc(F)c(-c2ccccc2)cc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C19H12Cl2FNO4S/c20-12-6-13(21)8-14(7-12)28(26,27)23-18-10-15(11-4-2-1-3-5-11)17(22)9-16(18)19(24)25/h1-10,23H,(H,24,25)
InChIKeyFGSWYONWAUFHHL-UHFFFAOYSA-N
XLogP5.30
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.28
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3,5-dichloro-2-hydroxyphenyl)sulfonylamino]-5-fluoro-4-phenylbenzoic acid
CID 146545806
3-chloro-N-(2,4-difluoro-5-phenylphenyl)-5-methylsulfonylbenzenesulfonamide
CID 146545776
3,5-dichloro-N-(2,4-difluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide
CID 146545747
3,5-dichloro-N-(2-hydroxyphenyl)benzenesulfonamide
CID 4993615
3-chloro-5-[(2,4-difluoro-5-phenylphenyl)methylsulfonyl]benzoic acid
CID 157440067
2-(benzenesulfonamido)-3,5-dichlorobenzoic acid
CID 43235236
4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-5-fluorobenzoic acid
CID 59303000
N-(4-bromo-2-fluorophenyl)-3,5-dichlorobenzenesulfonamide
CID 28829056
4-[(3,5-dichlorophenyl)sulfonylamino]-2-hydroxybenzoic acid
CID 45330209
3-[(3-fluorophenyl)sulfonylamino]naphthalene-2-carboxylic acid
CID 16778029
6-[(3,4-difluorophenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid
CID 17456779
3-chloro-5-[(2,4-difluoro-5-phenylphenyl)sulfamoyl]-4-hydroxy-N-methylbenzamide
CID 146545980

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dichlorophenyl)sulfonylamino]-5-fluoro-4-phenylbenzoic acid?
The IUPAC name of 2-[(3,5-dichlorophenyl)sulfonylamino]-5-fluoro-4-phenylbenzoic acid (CID 146545847) is 2-[(3,5-dichlorophenyl)sulfonylamino]-5-fluoro-4-phenylbenzoic acid.
What is the SMILES notation for 2-[(3,5-dichlorophenyl)sulfonylamino]-5-fluoro-4-phenylbenzoic acid?
The canonical SMILES for 2-[(3,5-dichlorophenyl)sulfonylamino]-5-fluoro-4-phenylbenzoic acid is O=C(O)c1cc(F)c(-c2ccccc2)cc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-[(3,5-dichlorophenyl)sulfonylamino]-5-fluoro-4-phenylbenzoic acid?
The InChIKey is FGSWYONWAUFHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl2FNO4S/c20-12-6-13(21)8-14(7-12)28(26,27)23-18-10-15(11-4-2-1-3-5-11)17(22)9-16(18)19(24)25/h1-10,23H,(H,24,25).
What are the key properties of 2-[(3,5-dichlorophenyl)sulfonylamino]-5-fluoro-4-phenylbenzoic acid?
2-[(3,5-dichlorophenyl)sulfonylamino]-5-fluoro-4-phenylbenzoic acid has a molecular weight of 440.28 g/mol, XLogP of 5.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dichlorophenyl)sulfonylamino]-5-fluoro-4-phenylbenzoic acid is sourced from PubChem (CID 146545847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).