2-(4-cyanophenyl)-N-quinolin-8-ylsulfonylacetamide

C18H13N3O3S — CID 167985202

IUPAC2-(4-cyanophenyl)-N-quinolin-8-ylsulfonylacetamide
SMILESN#Cc1ccc(CC(=O)NS(=O)(=O)c2cccc3cccnc23)cc1
InChIInChI=1S/C18H13N3O3S/c19-12-14-8-6-13(7-9-14)11-17(22)21-25(23,24)16-5-1-3-15-4-2-10-20-18(15)16/h1-10H,11H2,(H,21,22)
InChIKeyPINXOABUIXSOSK-UHFFFAOYSA-N
MW351.39 g/mol
LogP2.15
Rot. Bonds4

About 2-(4-cyanophenyl)-N-quinolin-8-ylsulfonylacetamide

2-(4-cyanophenyl)-N-quinolin-8-ylsulfonylacetamide (PubChem CID 167985202) has the molecular formula C18H13N3O3S and a molecular weight of 351.39 g/mol. Its IUPAC name is 2-(4-cyanophenyl)-N-quinolin-8-ylsulfonylacetamide.

Molecular Properties

Compound Name2-(4-cyanophenyl)-N-quinolin-8-ylsulfonylacetamide
PubChem CID167985202
Molecular FormulaC18H13N3O3S
Molecular Weight351.39 g/mol
Exact Mass351.07
IUPAC Name2-(4-cyanophenyl)-N-quinolin-8-ylsulfonylacetamide
SMILESN#Cc1ccc(CC(=O)NS(=O)(=O)c2cccc3cccnc23)cc1
InChIInChI=1S/C18H13N3O3S/c19-12-14-8-6-13(7-9-14)11-17(22)21-25(23,24)16-5-1-3-15-4-2-10-20-18(15)16/h1-10H,11H2,(H,21,22)
InChIKeyPINXOABUIXSOSK-UHFFFAOYSA-N
XLogP2.15
TPSA99.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(cyanomethyl)phenyl]quinoline-8-sulfonamide
CID 74225429
N-[2-[2-(4-cyanophenyl)ethyl]-1,3-benzoxazol-5-yl]quinoline-8-sulfonamide
CID 23296521
N-[3-[3-(4-cyanophenyl)propanoyl]-1-methylindol-5-yl]quinoline-8-sulfonamide
CID 54087620
N-(6-chloroquinolin-8-yl)sulfonyl-2-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 166333578
2-(4-bromophenyl)-N-(7-methylquinolin-8-yl)sulfonylacetamide
CID 155948071
2-(4-chlorophenyl)-N-(7-methylquinolin-8-yl)sulfonylacetamide
CID 166209694
N-[3-(4-acetylphenyl)prop-2-ynyl]quinoline-8-sulfonamide
CID 90553348
(2S)-2-amino-4-methyl-N-quinolin-8-ylsulfonylpentanamide
CID 122490796
(1R,6S)-N-quinolin-8-ylsulfonylbicyclo[4.1.0]heptane-7-carboxamide
CID 96565285
N-(2-methylpropyl)quinoline-8-sulfonamide
CID 19681190
N-[5-(hydroxymethyl)-2-methylphenyl]quinoline-8-sulfonamide
CID 3338850
N-[4-(quinolin-8-ylsulfonylamino)phenyl]acetamide
CID 2443922

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenyl)-N-quinolin-8-ylsulfonylacetamide?
The IUPAC name of 2-(4-cyanophenyl)-N-quinolin-8-ylsulfonylacetamide (CID 167985202) is 2-(4-cyanophenyl)-N-quinolin-8-ylsulfonylacetamide.
What is the SMILES notation for 2-(4-cyanophenyl)-N-quinolin-8-ylsulfonylacetamide?
The canonical SMILES for 2-(4-cyanophenyl)-N-quinolin-8-ylsulfonylacetamide is N#Cc1ccc(CC(=O)NS(=O)(=O)c2cccc3cccnc23)cc1.
What is the InChIKey of 2-(4-cyanophenyl)-N-quinolin-8-ylsulfonylacetamide?
The InChIKey is PINXOABUIXSOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O3S/c19-12-14-8-6-13(7-9-14)11-17(22)21-25(23,24)16-5-1-3-15-4-2-10-20-18(15)16/h1-10H,11H2,(H,21,22).
What are the key properties of 2-(4-cyanophenyl)-N-quinolin-8-ylsulfonylacetamide?
2-(4-cyanophenyl)-N-quinolin-8-ylsulfonylacetamide has a molecular weight of 351.39 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenyl)-N-quinolin-8-ylsulfonylacetamide is sourced from PubChem (CID 167985202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).