4-[[6-chloro-5-(3-fluorophenyl)-3-pyridinyl]sulfonylamino]-2-hydroxybenzoic acid

C18H12ClFN2O5S — CID 56596353

IUPAC4-[[6-chloro-5-(3-fluorophenyl)-3-pyridinyl]sulfonylamino]-2-hydroxybenzoic acid
SMILESO=C(O)c1ccc(NS(=O)(=O)c2cnc(Cl)c(-c3cccc(F)c3)c2)cc1O
InChIInChI=1S/C18H12ClFN2O5S/c19-17-15(10-2-1-3-11(20)6-10)8-13(9-21-17)28(26,27)22-12-4-5-14(18(24)25)16(23)7-12/h1-9,22-23H,(H,24,25)
InChIKeyQYUUBWDAEZETJL-UHFFFAOYSA-N
MW422.82 g/mol
LogP3.75
Rot. Bonds5

About 4-[[6-chloro-5-(3-fluorophenyl)-3-pyridinyl]sulfonylamino]-2-hydroxybenzoic acid

4-[[6-chloro-5-(3-fluorophenyl)-3-pyridinyl]sulfonylamino]-2-hydroxybenzoic acid (PubChem CID 56596353) has the molecular formula C18H12ClFN2O5S and a molecular weight of 422.82 g/mol. Its IUPAC name is 4-[[6-chloro-5-(3-fluorophenyl)-3-pyridinyl]sulfonylamino]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name4-[[6-chloro-5-(3-fluorophenyl)-3-pyridinyl]sulfonylamino]-2-hydroxybenzoic acid
PubChem CID56596353
Molecular FormulaC18H12ClFN2O5S
Molecular Weight422.82 g/mol
Exact Mass422.01
IUPAC Name4-[[6-chloro-5-(3-fluorophenyl)-3-pyridinyl]sulfonylamino]-2-hydroxybenzoic acid
SMILESO=C(O)c1ccc(NS(=O)(=O)c2cnc(Cl)c(-c3cccc(F)c3)c2)cc1O
InChIInChI=1S/C18H12ClFN2O5S/c19-17-15(10-2-1-3-11(20)6-10)8-13(9-21-17)28(26,27)22-12-4-5-14(18(24)25)16(23)7-12/h1-9,22-23H,(H,24,25)
InChIKeyQYUUBWDAEZETJL-UHFFFAOYSA-N
XLogP3.75
TPSA116.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.82
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-[(6-chloro-5-quinolin-6-yl-3-pyridinyl)sulfonylamino]-2-hydroxybenzoic acid
CID 56596395
4-[[6-chloro-5-(2-fluoro-3-methoxyphenyl)-3-pyridinyl]sulfonylamino]-2-hydroxybenzoic acid
CID 56596351
4-[(3,5-dichlorophenyl)sulfonylamino]-2-hydroxybenzoic acid
CID 45330209
2-chloro-5-[(3-fluorophenyl)sulfonylamino]benzoic acid
CID 51118457
2-hydroxy-4-[[3-(4-hydroxyphenyl)phenyl]sulfonylamino]benzoic acid
CID 56595847
5,6-dichloro-N-(3-fluoro-4-hydroxyphenyl)pyridine-3-sulfonamide
CID 64782411
2,3-dichloro-5-[(3-fluorophenyl)sulfamoyl]benzoic acid
CID 71882393
2-chloro-5-[(5-fluoro-3-pyridinyl)sulfonylamino]benzoic acid
CID 56828322
4-[[5-chloro-4-(3-fluoro-4-hydroxyphenyl)thiophen-2-yl]sulfonylamino]-2-hydroxybenzoic acid
CID 56595950
2-hydroxy-4-[[3-[4-(methoxycarbonylamino)phenyl]phenyl]sulfonylamino]benzoic acid
CID 56596050
4-[[3-(3,4-dimethoxyphenyl)phenyl]sulfonylamino]-2-hydroxybenzoic acid
CID 56596202
5,6-dichloro-N-(3-chloro-4-hydroxyphenyl)pyridine-3-sulfonamide
CID 103930794

Frequently Asked Questions

What is the IUPAC name of 4-[[6-chloro-5-(3-fluorophenyl)-3-pyridinyl]sulfonylamino]-2-hydroxybenzoic acid?
The IUPAC name of 4-[[6-chloro-5-(3-fluorophenyl)-3-pyridinyl]sulfonylamino]-2-hydroxybenzoic acid (CID 56596353) is 4-[[6-chloro-5-(3-fluorophenyl)-3-pyridinyl]sulfonylamino]-2-hydroxybenzoic acid.
What is the SMILES notation for 4-[[6-chloro-5-(3-fluorophenyl)-3-pyridinyl]sulfonylamino]-2-hydroxybenzoic acid?
The canonical SMILES for 4-[[6-chloro-5-(3-fluorophenyl)-3-pyridinyl]sulfonylamino]-2-hydroxybenzoic acid is O=C(O)c1ccc(NS(=O)(=O)c2cnc(Cl)c(-c3cccc(F)c3)c2)cc1O.
What is the InChIKey of 4-[[6-chloro-5-(3-fluorophenyl)-3-pyridinyl]sulfonylamino]-2-hydroxybenzoic acid?
The InChIKey is QYUUBWDAEZETJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClFN2O5S/c19-17-15(10-2-1-3-11(20)6-10)8-13(9-21-17)28(26,27)22-12-4-5-14(18(24)25)16(23)7-12/h1-9,22-23H,(H,24,25).
What are the key properties of 4-[[6-chloro-5-(3-fluorophenyl)-3-pyridinyl]sulfonylamino]-2-hydroxybenzoic acid?
4-[[6-chloro-5-(3-fluorophenyl)-3-pyridinyl]sulfonylamino]-2-hydroxybenzoic acid has a molecular weight of 422.82 g/mol, XLogP of 3.75, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-chloro-5-(3-fluorophenyl)-3-pyridinyl]sulfonylamino]-2-hydroxybenzoic acid is sourced from PubChem (CID 56596353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).