N-(2-hydroxyphenyl)-4-(quinolin-8-ylsulfonylamino)benzamide

C22H17N3O4S — CID 5045370

IUPACN-(2-hydroxyphenyl)-4-(quinolin-8-ylsulfonylamino)benzamide
SMILESO=C(Nc1ccccc1O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1
InChIInChI=1S/C22H17N3O4S/c26-19-8-2-1-7-18(19)24-22(27)16-10-12-17(13-11-16)25-30(28,29)20-9-3-5-15-6-4-14-23-21(15)20/h1-14,25-26H,(H,24,27)
InChIKeyVFPIDGYYGNFYMH-UHFFFAOYSA-N
MW419.46 g/mol
LogP3.99
Rot. Bonds5

About N-(2-hydroxyphenyl)-4-(quinolin-8-ylsulfonylamino)benzamide

N-(2-hydroxyphenyl)-4-(quinolin-8-ylsulfonylamino)benzamide (PubChem CID 5045370) has the molecular formula C22H17N3O4S and a molecular weight of 419.46 g/mol. Its IUPAC name is N-(2-hydroxyphenyl)-4-(quinolin-8-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-(2-hydroxyphenyl)-4-(quinolin-8-ylsulfonylamino)benzamide
PubChem CID5045370
Molecular FormulaC22H17N3O4S
Molecular Weight419.46 g/mol
Exact Mass419.09
IUPAC NameN-(2-hydroxyphenyl)-4-(quinolin-8-ylsulfonylamino)benzamide
SMILESO=C(Nc1ccccc1O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1
InChIInChI=1S/C22H17N3O4S/c26-19-8-2-1-7-18(19)24-22(27)16-10-12-17(13-11-16)25-30(28,29)20-9-3-5-15-6-4-14-23-21(15)20/h1-14,25-26H,(H,24,27)
InChIKeyVFPIDGYYGNFYMH-UHFFFAOYSA-N
XLogP3.99
TPSA108.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 53.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-[4-(quinolin-8-ylsulfonylamino)phenyl]acetamide
CID 2443922
N-(2-chlorophenyl)-3-oxo-3-[4-(quinolin-8-ylsulfonylamino)phenyl]propanamide
CID 3864547
2-hydroxy-N-quinolin-8-ylbenzenesulfonamide
CID 1380884
N-(4-bromophenyl)quinoline-8-sulfonamide
CID 3423367
N-(4-formylphenyl)quinoline-8-sulfonamide
CID 121290762
N-methyl-N-[4-(quinolin-8-ylsulfonylamino)phenyl]acetamide
CID 22775261
5-iodo-N-quinolin-8-ylthiophene-3-carboxamide
CID 78948742
cyclohexyl 4-(quinolin-8-ylsulfonylamino)benzoate
CID 7573617
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-quinolin-8-ylbenzamide
CID 41491213
4-(tert-butylsulfamoyl)-N-quinolin-8-ylbenzamide
CID 31542150
(E)-N-hydroxy-3-[4-(quinolin-8-ylsulfonylamino)phenyl]prop-2-enamide
CID 11003161
bis(N-[4-(piperazin-4-ium-1-carbonyl)phenyl]quinoline-8-sulfonamide);sulfate;trihydrate
CID 169133059

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyphenyl)-4-(quinolin-8-ylsulfonylamino)benzamide?
The IUPAC name of N-(2-hydroxyphenyl)-4-(quinolin-8-ylsulfonylamino)benzamide (CID 5045370) is N-(2-hydroxyphenyl)-4-(quinolin-8-ylsulfonylamino)benzamide.
What is the SMILES notation for N-(2-hydroxyphenyl)-4-(quinolin-8-ylsulfonylamino)benzamide?
The canonical SMILES for N-(2-hydroxyphenyl)-4-(quinolin-8-ylsulfonylamino)benzamide is O=C(Nc1ccccc1O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1.
What is the InChIKey of N-(2-hydroxyphenyl)-4-(quinolin-8-ylsulfonylamino)benzamide?
The InChIKey is VFPIDGYYGNFYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O4S/c26-19-8-2-1-7-18(19)24-22(27)16-10-12-17(13-11-16)25-30(28,29)20-9-3-5-15-6-4-14-23-21(15)20/h1-14,25-26H,(H,24,27).
What are the key properties of N-(2-hydroxyphenyl)-4-(quinolin-8-ylsulfonylamino)benzamide?
N-(2-hydroxyphenyl)-4-(quinolin-8-ylsulfonylamino)benzamide has a molecular weight of 419.46 g/mol, XLogP of 3.99, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyphenyl)-4-(quinolin-8-ylsulfonylamino)benzamide is sourced from PubChem (CID 5045370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).