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

C21H14ClN3O5S — CID 56596395

IUPAC4-[(6-chloro-5-quinolin-6-yl-3-pyridinyl)sulfonylamino]-2-hydroxybenzoic acid
SMILESO=C(O)c1ccc(NS(=O)(=O)c2cnc(Cl)c(-c3ccc4ncccc4c3)c2)cc1O
InChIInChI=1S/C21H14ClN3O5S/c22-20-17(12-3-6-18-13(8-12)2-1-7-23-18)10-15(11-24-20)31(29,30)25-14-4-5-16(21(27)28)19(26)9-14/h1-11,25-26H,(H,27,28)
InChIKeyZTQYKEUNQOXBEL-UHFFFAOYSA-N
MW455.88 g/mol
LogP4.15
Rot. Bonds5

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

4-[(6-chloro-5-quinolin-6-yl-3-pyridinyl)sulfonylamino]-2-hydroxybenzoic acid (PubChem CID 56596395) has the molecular formula C21H14ClN3O5S and a molecular weight of 455.88 g/mol. Its IUPAC name is 4-[(6-chloro-5-quinolin-6-yl-3-pyridinyl)sulfonylamino]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name4-[(6-chloro-5-quinolin-6-yl-3-pyridinyl)sulfonylamino]-2-hydroxybenzoic acid
PubChem CID56596395
Molecular FormulaC21H14ClN3O5S
Molecular Weight455.88 g/mol
Exact Mass455.03
IUPAC Name4-[(6-chloro-5-quinolin-6-yl-3-pyridinyl)sulfonylamino]-2-hydroxybenzoic acid
SMILESO=C(O)c1ccc(NS(=O)(=O)c2cnc(Cl)c(-c3ccc4ncccc4c3)c2)cc1O
InChIInChI=1S/C21H14ClN3O5S/c22-20-17(12-3-6-18-13(8-12)2-1-7-23-18)10-15(11-24-20)31(29,30)25-14-4-5-16(21(27)28)19(26)9-14/h1-11,25-26H,(H,27,28)
InChIKeyZTQYKEUNQOXBEL-UHFFFAOYSA-N
XLogP4.15
TPSA129.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.88
LogP ≤ 54.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[[6-chloro-5-(3-fluorophenyl)-3-pyridinyl]sulfonylamino]-2-hydroxybenzoic acid
CID 56596353
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-hydroxy-4-[[3-(4-hydroxyphenyl)phenyl]sulfonylamino]benzoic acid
CID 56595847
5-fluoro-2-quinolin-6-ylbenzoic acid
CID 81224039
2-chloro-N-quinolin-6-ylbenzenesulfonamide
CID 25040814
4-chloro-2-hydroxy-N-quinolin-6-ylbenzamide
CID 60783622
5,6-dichloro-N-(3-chloro-4-hydroxyphenyl)pyridine-3-sulfonamide
CID 103930794
4-(chlorosulfonylamino)-2-hydroxybenzoic acid
CID 175169108
4-[[5-chloro-4-(3-fluoro-4-hydroxyphenyl)thiophen-2-yl]sulfonylamino]-2-hydroxybenzoic acid
CID 56595950
5,6-dichloro-N-(3-fluoro-4-hydroxyphenyl)pyridine-3-sulfonamide
CID 64782411
6-oxo-N-quinolin-6-yl-1H-pyridine-3-sulfonamide
CID 62636555

Frequently Asked Questions

What is the IUPAC name of 4-[(6-chloro-5-quinolin-6-yl-3-pyridinyl)sulfonylamino]-2-hydroxybenzoic acid?
The IUPAC name of 4-[(6-chloro-5-quinolin-6-yl-3-pyridinyl)sulfonylamino]-2-hydroxybenzoic acid (CID 56596395) is 4-[(6-chloro-5-quinolin-6-yl-3-pyridinyl)sulfonylamino]-2-hydroxybenzoic acid.
What is the SMILES notation for 4-[(6-chloro-5-quinolin-6-yl-3-pyridinyl)sulfonylamino]-2-hydroxybenzoic acid?
The canonical SMILES for 4-[(6-chloro-5-quinolin-6-yl-3-pyridinyl)sulfonylamino]-2-hydroxybenzoic acid is O=C(O)c1ccc(NS(=O)(=O)c2cnc(Cl)c(-c3ccc4ncccc4c3)c2)cc1O.
What is the InChIKey of 4-[(6-chloro-5-quinolin-6-yl-3-pyridinyl)sulfonylamino]-2-hydroxybenzoic acid?
The InChIKey is ZTQYKEUNQOXBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClN3O5S/c22-20-17(12-3-6-18-13(8-12)2-1-7-23-18)10-15(11-24-20)31(29,30)25-14-4-5-16(21(27)28)19(26)9-14/h1-11,25-26H,(H,27,28).
What are the key properties of 4-[(6-chloro-5-quinolin-6-yl-3-pyridinyl)sulfonylamino]-2-hydroxybenzoic acid?
4-[(6-chloro-5-quinolin-6-yl-3-pyridinyl)sulfonylamino]-2-hydroxybenzoic acid has a molecular weight of 455.88 g/mol, XLogP of 4.15, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-chloro-5-quinolin-6-yl-3-pyridinyl)sulfonylamino]-2-hydroxybenzoic acid is sourced from PubChem (CID 56596395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).