N-[3-(4-acetylphenyl)prop-2-ynyl]quinoline-8-sulfonamide

C20H16N2O3S — CID 90553348

IUPACN-[3-(4-acetylphenyl)prop-2-ynyl]quinoline-8-sulfonamide
SMILESCC(=O)c1ccc(C#CCNS(=O)(=O)c2cccc3cccnc23)cc1
InChIInChI=1S/C20H16N2O3S/c1-15(23)17-11-9-16(10-12-17)5-3-14-22-26(24,25)19-8-2-6-18-7-4-13-21-20(18)19/h2,4,6-13,22H,14H2,1H3
InChIKeyDMZQHKWYCFGCPQ-UHFFFAOYSA-N
MW364.43 g/mol
LogP2.77
Rot. Bonds4

About N-[3-(4-acetylphenyl)prop-2-ynyl]quinoline-8-sulfonamide

N-[3-(4-acetylphenyl)prop-2-ynyl]quinoline-8-sulfonamide (PubChem CID 90553348) has the molecular formula C20H16N2O3S and a molecular weight of 364.43 g/mol. Its IUPAC name is N-[3-(4-acetylphenyl)prop-2-ynyl]quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-[3-(4-acetylphenyl)prop-2-ynyl]quinoline-8-sulfonamide
PubChem CID90553348
Molecular FormulaC20H16N2O3S
Molecular Weight364.43 g/mol
Exact Mass364.09
IUPAC NameN-[3-(4-acetylphenyl)prop-2-ynyl]quinoline-8-sulfonamide
SMILESCC(=O)c1ccc(C#CCNS(=O)(=O)c2cccc3cccnc23)cc1
InChIInChI=1S/C20H16N2O3S/c1-15(23)17-11-9-16(10-12-17)5-3-14-22-26(24,25)19-8-2-6-18-7-4-13-21-20(18)19/h2,4,6-13,22H,14H2,1H3
InChIKeyDMZQHKWYCFGCPQ-UHFFFAOYSA-N
XLogP2.77
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-4-[3-[(2-methylquinolin-8-yl)sulfonylamino]prop-1-ynyl]benzamide
CID 90553583
N-[4-(2-methoxyphenoxy)but-2-ynyl]quinoline-8-sulfonamide
CID 71802969
N-[3-(4-acetylphenyl)prop-2-ynyl]-4-tert-butylbenzenesulfonamide
CID 90553370
N-(2-methylpropyl)quinoline-8-sulfonamide
CID 19681190
methyl 3-[3-(4-acetylphenyl)prop-2-ynylsulfamoyl]thiophene-2-carboxylate
CID 90553380
N-butylquinoline-8-sulfonamide
CID 2068304
2-(4-cyanophenyl)-N-quinolin-8-ylsulfonylacetamide
CID 167985202
N-[4-(quinolin-8-ylsulfonylamino)phenyl]acetamide
CID 2443922
2-fluoro-N-(4-quinolin-8-yloxybut-2-ynyl)benzenesulfonamide
CID 90579949
N-(2-phenoxyethyl)quinoline-8-sulfonamide
CID 3776946
methyl 4-(4-quinolin-8-yloxybut-2-ynylsulfamoyl)benzoate
CID 90579979
4-[3-[(3-chloro-2-methylphenyl)sulfonylamino]prop-1-ynyl]-N,N-dimethylbenzamide
CID 90553597

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-acetylphenyl)prop-2-ynyl]quinoline-8-sulfonamide?
The IUPAC name of N-[3-(4-acetylphenyl)prop-2-ynyl]quinoline-8-sulfonamide (CID 90553348) is N-[3-(4-acetylphenyl)prop-2-ynyl]quinoline-8-sulfonamide.
What is the SMILES notation for N-[3-(4-acetylphenyl)prop-2-ynyl]quinoline-8-sulfonamide?
The canonical SMILES for N-[3-(4-acetylphenyl)prop-2-ynyl]quinoline-8-sulfonamide is CC(=O)c1ccc(C#CCNS(=O)(=O)c2cccc3cccnc23)cc1.
What is the InChIKey of N-[3-(4-acetylphenyl)prop-2-ynyl]quinoline-8-sulfonamide?
The InChIKey is DMZQHKWYCFGCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O3S/c1-15(23)17-11-9-16(10-12-17)5-3-14-22-26(24,25)19-8-2-6-18-7-4-13-21-20(18)19/h2,4,6-13,22H,14H2,1H3.
What are the key properties of N-[3-(4-acetylphenyl)prop-2-ynyl]quinoline-8-sulfonamide?
N-[3-(4-acetylphenyl)prop-2-ynyl]quinoline-8-sulfonamide has a molecular weight of 364.43 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-acetylphenyl)prop-2-ynyl]quinoline-8-sulfonamide is sourced from PubChem (CID 90553348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).