3-chloro-5-[(2,3-difluoro-5-phenylphenyl)sulfamoyl]-4-hydroxybenzoic acid

C19H12ClF2NO5S — CID 146545712

IUPAC3-chloro-5-[(2,3-difluoro-5-phenylphenyl)sulfamoyl]-4-hydroxybenzoic acid
SMILESO=C(O)c1cc(Cl)c(O)c(S(=O)(=O)Nc2cc(-c3ccccc3)cc(F)c2F)c1
InChIInChI=1S/C19H12ClF2NO5S/c20-13-6-12(19(25)26)9-16(18(13)24)29(27,28)23-15-8-11(7-14(21)17(15)22)10-4-2-1-3-5-10/h1-9,23-24H,(H,25,26)
InChIKeyFLXPEFNYGCUXKE-UHFFFAOYSA-N
MW439.82 g/mol
LogP4.49
Rot. Bonds5

About 3-chloro-5-[(2,3-difluoro-5-phenylphenyl)sulfamoyl]-4-hydroxybenzoic acid

3-chloro-5-[(2,3-difluoro-5-phenylphenyl)sulfamoyl]-4-hydroxybenzoic acid (PubChem CID 146545712) has the molecular formula C19H12ClF2NO5S and a molecular weight of 439.82 g/mol. Its IUPAC name is 3-chloro-5-[(2,3-difluoro-5-phenylphenyl)sulfamoyl]-4-hydroxybenzoic acid.

Molecular Properties

Compound Name3-chloro-5-[(2,3-difluoro-5-phenylphenyl)sulfamoyl]-4-hydroxybenzoic acid
PubChem CID146545712
Molecular FormulaC19H12ClF2NO5S
Molecular Weight439.82 g/mol
Exact Mass439.01
IUPAC Name3-chloro-5-[(2,3-difluoro-5-phenylphenyl)sulfamoyl]-4-hydroxybenzoic acid
SMILESO=C(O)c1cc(Cl)c(O)c(S(=O)(=O)Nc2cc(-c3ccccc3)cc(F)c2F)c1
InChIInChI=1S/C19H12ClF2NO5S/c20-13-6-12(19(25)26)9-16(18(13)24)29(27,28)23-15-8-11(7-14(21)17(15)22)10-4-2-1-3-5-10/h1-9,23-24H,(H,25,26)
InChIKeyFLXPEFNYGCUXKE-UHFFFAOYSA-N
XLogP4.49
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.82
LogP ≤ 54.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-(2,3-difluoro-5-phenylphenyl)-2-hydroxy-5-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 146545871
3-chloro-5-[(2,4-difluoro-5-phenylphenyl)sulfamoyl]-4-hydroxy-N-methylbenzamide
CID 146545980
3,4-dichloro-5-[(2-fluorophenyl)sulfamoyl]benzoic acid
CID 2380504
2-[(3,5-dichloro-2-hydroxyphenyl)sulfonylamino]-5-fluoro-4-phenylbenzoic acid
CID 146545806
ethyl 3-chloro-5-[(2,4-difluoro-5-phenylphenyl)sulfamoyl]-4-hydroxybenzoate
CID 146545997
3-chloro-4-hydroxy-5-[(2-methoxy-5-phenylphenyl)sulfamoyl]-N,N-dimethylbenzamide
CID 146545910
3,5-dichloro-N-(2,4-difluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide
CID 146545747
3-chloro-N-(2,4-difluoro-5-phenylphenyl)-2-hydroxy-5-(trifluoromethyl)benzenesulfonamide
CID 146545724
tert-butyl 4-[3-chloro-4-hydroxy-5-[(2-methoxy-5-phenylphenyl)sulfamoyl]benzoyl]piperazine-1-carboxylate
CID 146601037
5-chloro-3-cyano-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide
CID 146545879
3-[(2-fluorophenyl)sulfamoyl]-4,5-dimethylbenzoic acid
CID 805440
3-[(2,3-difluorophenyl)sulfamoyl]-4-methylbenzoic acid
CID 52715195

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[(2,3-difluoro-5-phenylphenyl)sulfamoyl]-4-hydroxybenzoic acid?
The IUPAC name of 3-chloro-5-[(2,3-difluoro-5-phenylphenyl)sulfamoyl]-4-hydroxybenzoic acid (CID 146545712) is 3-chloro-5-[(2,3-difluoro-5-phenylphenyl)sulfamoyl]-4-hydroxybenzoic acid.
What is the SMILES notation for 3-chloro-5-[(2,3-difluoro-5-phenylphenyl)sulfamoyl]-4-hydroxybenzoic acid?
The canonical SMILES for 3-chloro-5-[(2,3-difluoro-5-phenylphenyl)sulfamoyl]-4-hydroxybenzoic acid is O=C(O)c1cc(Cl)c(O)c(S(=O)(=O)Nc2cc(-c3ccccc3)cc(F)c2F)c1.
What is the InChIKey of 3-chloro-5-[(2,3-difluoro-5-phenylphenyl)sulfamoyl]-4-hydroxybenzoic acid?
The InChIKey is FLXPEFNYGCUXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClF2NO5S/c20-13-6-12(19(25)26)9-16(18(13)24)29(27,28)23-15-8-11(7-14(21)17(15)22)10-4-2-1-3-5-10/h1-9,23-24H,(H,25,26).
What are the key properties of 3-chloro-5-[(2,3-difluoro-5-phenylphenyl)sulfamoyl]-4-hydroxybenzoic acid?
3-chloro-5-[(2,3-difluoro-5-phenylphenyl)sulfamoyl]-4-hydroxybenzoic acid has a molecular weight of 439.82 g/mol, XLogP of 4.49, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[(2,3-difluoro-5-phenylphenyl)sulfamoyl]-4-hydroxybenzoic acid is sourced from PubChem (CID 146545712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).