N-(4-formylphenyl)quinoline-8-sulfonamide

C16H12N2O3S — CID 121290762

IUPACN-(4-formylphenyl)quinoline-8-sulfonamide
SMILESO=Cc1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1
InChIInChI=1S/C16H12N2O3S/c19-11-12-6-8-14(9-7-12)18-22(20,21)15-5-1-3-13-4-2-10-17-16(13)15/h1-11,18H
InChIKeyNUQPFIZJWDFNEJ-UHFFFAOYSA-N
MW312.35 g/mol
LogP2.85
Rot. Bonds4

About N-(4-formylphenyl)quinoline-8-sulfonamide

N-(4-formylphenyl)quinoline-8-sulfonamide (PubChem CID 121290762) has the molecular formula C16H12N2O3S and a molecular weight of 312.35 g/mol. Its IUPAC name is N-(4-formylphenyl)quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-(4-formylphenyl)quinoline-8-sulfonamide
PubChem CID121290762
Molecular FormulaC16H12N2O3S
Molecular Weight312.35 g/mol
Exact Mass312.06
IUPAC NameN-(4-formylphenyl)quinoline-8-sulfonamide
SMILESO=Cc1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1
InChIInChI=1S/C16H12N2O3S/c19-11-12-6-8-14(9-7-12)18-22(20,21)15-5-1-3-13-4-2-10-17-16(13)15/h1-11,18H
InChIKeyNUQPFIZJWDFNEJ-UHFFFAOYSA-N
XLogP2.85
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromophenyl)quinoline-8-sulfonamide
CID 3423367
(E)-N-hydroxy-3-[4-(quinolin-8-ylsulfonylamino)phenyl]prop-2-enamide
CID 11003161
N-[4-(quinolin-8-ylsulfonylamino)phenyl]acetamide
CID 2443922
N-[4-[(R)-methylsulfinyl]phenyl]quinoline-8-sulfonamide
CID 95781119
N-[4-(trifluoromethoxy)phenyl]quinoline-8-sulfonamide
CID 4259954
N-[4-(cyanomethyl)phenyl]quinoline-8-sulfonamide
CID 74225429
N-[4-(4,5-dichloroimidazol-1-yl)phenyl]quinoline-8-sulfonamide
CID 3866993
N-methyl-N-[4-(quinolin-8-ylsulfonylamino)phenyl]acetamide
CID 22775261
N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]quinoline-8-sulfonamide
CID 19684514
N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]quinoline-8-sulfonamide
CID 5299496
[4-(quinolin-8-ylsulfonylamino)phenyl] propanoate
CID 59635021
N-(2,6-dichlorophenyl)quinoline-8-sulfonamide
CID 5068800

Frequently Asked Questions

What is the IUPAC name of N-(4-formylphenyl)quinoline-8-sulfonamide?
The IUPAC name of N-(4-formylphenyl)quinoline-8-sulfonamide (CID 121290762) is N-(4-formylphenyl)quinoline-8-sulfonamide.
What is the SMILES notation for N-(4-formylphenyl)quinoline-8-sulfonamide?
The canonical SMILES for N-(4-formylphenyl)quinoline-8-sulfonamide is O=Cc1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1.
What is the InChIKey of N-(4-formylphenyl)quinoline-8-sulfonamide?
The InChIKey is NUQPFIZJWDFNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O3S/c19-11-12-6-8-14(9-7-12)18-22(20,21)15-5-1-3-13-4-2-10-17-16(13)15/h1-11,18H.
What are the key properties of N-(4-formylphenyl)quinoline-8-sulfonamide?
N-(4-formylphenyl)quinoline-8-sulfonamide has a molecular weight of 312.35 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-formylphenyl)quinoline-8-sulfonamide is sourced from PubChem (CID 121290762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).