N-[2-(quinoline-5-carbonyl)phenyl]benzenesulfonamide

C22H16N2O3S — CID 58883574

IUPACN-[2-(quinoline-5-carbonyl)phenyl]benzenesulfonamide
SMILESO=C(c1ccccc1NS(=O)(=O)c1ccccc1)c1cccc2ncccc12
InChIInChI=1S/C22H16N2O3S/c25-22(18-11-6-14-20-17(18)12-7-15-23-20)19-10-4-5-13-21(19)24-28(26,27)16-8-2-1-3-9-16/h1-15,24H
InChIKeyKCWXPRBUUNHZNI-UHFFFAOYSA-N
MW388.45 g/mol
LogP4.27
Rot. Bonds5

About N-[2-(quinoline-5-carbonyl)phenyl]benzenesulfonamide

N-[2-(quinoline-5-carbonyl)phenyl]benzenesulfonamide (PubChem CID 58883574) has the molecular formula C22H16N2O3S and a molecular weight of 388.45 g/mol. Its IUPAC name is N-[2-(quinoline-5-carbonyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(quinoline-5-carbonyl)phenyl]benzenesulfonamide
PubChem CID58883574
Molecular FormulaC22H16N2O3S
Molecular Weight388.45 g/mol
Exact Mass388.09
IUPAC NameN-[2-(quinoline-5-carbonyl)phenyl]benzenesulfonamide
SMILESO=C(c1ccccc1NS(=O)(=O)c1ccccc1)c1cccc2ncccc12
InChIInChI=1S/C22H16N2O3S/c25-22(18-11-6-14-20-17(18)12-7-15-23-20)19-10-4-5-13-21(19)24-28(26,27)16-8-2-1-3-9-16/h1-15,24H
InChIKeyKCWXPRBUUNHZNI-UHFFFAOYSA-N
XLogP4.27
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(quinoline-5-carbonyl)phenyl]benzenesulfonamide?
The IUPAC name of N-[2-(quinoline-5-carbonyl)phenyl]benzenesulfonamide (CID 58883574) is N-[2-(quinoline-5-carbonyl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-[2-(quinoline-5-carbonyl)phenyl]benzenesulfonamide?
The canonical SMILES for N-[2-(quinoline-5-carbonyl)phenyl]benzenesulfonamide is O=C(c1ccccc1NS(=O)(=O)c1ccccc1)c1cccc2ncccc12.
What is the InChIKey of N-[2-(quinoline-5-carbonyl)phenyl]benzenesulfonamide?
The InChIKey is KCWXPRBUUNHZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O3S/c25-22(18-11-6-14-20-17(18)12-7-15-23-20)19-10-4-5-13-21(19)24-28(26,27)16-8-2-1-3-9-16/h1-15,24H.
What are the key properties of N-[2-(quinoline-5-carbonyl)phenyl]benzenesulfonamide?
N-[2-(quinoline-5-carbonyl)phenyl]benzenesulfonamide has a molecular weight of 388.45 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(quinoline-5-carbonyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 58883574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).