N-(3-ethynylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide

C17H14N2O3S — CID 18147069

IUPACN-(3-ethynylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
SMILESC#Cc1cccc(NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c1
InChIInChI=1S/C17H14N2O3S/c1-2-12-4-3-5-14(10-12)19-23(21,22)15-7-8-16-13(11-15)6-9-17(20)18-16/h1,3-5,7-8,10-11,19H,6,9H2,(H,18,20)
InChIKeyWTCDUTYHTLTSPP-UHFFFAOYSA-N
MW326.38 g/mol
LogP2.35
Rot. Bonds3

About N-(3-ethynylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide

N-(3-ethynylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide (PubChem CID 18147069) has the molecular formula C17H14N2O3S and a molecular weight of 326.38 g/mol. Its IUPAC name is N-(3-ethynylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide.

Molecular Properties

Compound NameN-(3-ethynylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
PubChem CID18147069
Molecular FormulaC17H14N2O3S
Molecular Weight326.38 g/mol
Exact Mass326.07
IUPAC NameN-(3-ethynylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
SMILESC#Cc1cccc(NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c1
InChIInChI=1S/C17H14N2O3S/c1-2-12-4-3-5-14(10-12)19-23(21,22)15-7-8-16-13(11-15)6-9-17(20)18-16/h1,3-5,7-8,10-11,19H,6,9H2,(H,18,20)
InChIKeyWTCDUTYHTLTSPP-UHFFFAOYSA-N
XLogP2.35
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-ethynylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-oxo-N-(3-propan-2-ylphenyl)-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 8519442
N-(4-chlorophenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 3647907
4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]benzamide
CID 7586418
4-bromo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzenesulfonamide
CID 20933627
N-[3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]phenyl]furan-2-carboxamide
CID 18230196
N-(2-fluorophenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 7601955
N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 127279830
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 8844859
N-(3-bromophenyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 8015526
N-(3-methylphenyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 18197715
N-ethyl-2-[3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]phenoxy]acetamide
CID 55676569
3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 27993658

Frequently Asked Questions

What is the IUPAC name of N-(3-ethynylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
The IUPAC name of N-(3-ethynylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide (CID 18147069) is N-(3-ethynylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide.
What is the SMILES notation for N-(3-ethynylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
The canonical SMILES for N-(3-ethynylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide is C#Cc1cccc(NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c1.
What is the InChIKey of N-(3-ethynylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
The InChIKey is WTCDUTYHTLTSPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3S/c1-2-12-4-3-5-14(10-12)19-23(21,22)15-7-8-16-13(11-15)6-9-17(20)18-16/h1,3-5,7-8,10-11,19H,6,9H2,(H,18,20).
What are the key properties of N-(3-ethynylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
N-(3-ethynylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide has a molecular weight of 326.38 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethynylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide is sourced from PubChem (CID 18147069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).