N-[(6R)-2-oxo-1-prop-2-enyl-5,6,7,8-tetrahydroquinolin-6-yl]benzenesulfonamide

C18H20N2O3S — CID 97389951

IUPACN-[(6R)-2-oxo-1-prop-2-enyl-5,6,7,8-tetrahydroquinolin-6-yl]benzenesulfonamide
SMILESC=CCn1c2c(ccc1=O)C[C@H](NS(=O)(=O)c1ccccc1)CC2
InChIInChI=1S/C18H20N2O3S/c1-2-12-20-17-10-9-15(13-14(17)8-11-18(20)21)19-24(22,23)16-6-4-3-5-7-16/h2-8,11,15,19H,1,9-10,12-13H2/t15-/m1/s1
InChIKeySASDLDQMOCVYDT-OAHLLOKOSA-N
MW344.44 g/mol
LogP1.87
Rot. Bonds5

About N-[(6R)-2-oxo-1-prop-2-enyl-5,6,7,8-tetrahydroquinolin-6-yl]benzenesulfonamide

N-[(6R)-2-oxo-1-prop-2-enyl-5,6,7,8-tetrahydroquinolin-6-yl]benzenesulfonamide (PubChem CID 97389951) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-[(6R)-2-oxo-1-prop-2-enyl-5,6,7,8-tetrahydroquinolin-6-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(6R)-2-oxo-1-prop-2-enyl-5,6,7,8-tetrahydroquinolin-6-yl]benzenesulfonamide
PubChem CID97389951
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC NameN-[(6R)-2-oxo-1-prop-2-enyl-5,6,7,8-tetrahydroquinolin-6-yl]benzenesulfonamide
SMILESC=CCn1c2c(ccc1=O)C[C@H](NS(=O)(=O)c1ccccc1)CC2
InChIInChI=1S/C18H20N2O3S/c1-2-12-20-17-10-9-15(13-14(17)8-11-18(20)21)19-24(22,23)16-6-4-3-5-7-16/h2-8,11,15,19H,1,9-10,12-13H2/t15-/m1/s1
InChIKeySASDLDQMOCVYDT-OAHLLOKOSA-N
XLogP1.87
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(6R)-2-oxo-1-prop-2-enyl-5,6,7,8-tetrahydroquinolin-6-yl]benzenesulfonamide with MolForge

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Related Compounds

N-(2-oxo-1-prop-2-enyl-5,6,7,8-tetrahydroquinolin-6-yl)benzamide
CID 134076221
N-(2-oxo-1-prop-2-enyl-5,6,7,8-tetrahydroquinolin-6-yl)-2-thiophen-2-ylacetamide
CID 131659491
N-[(6R)-1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]ethanesulfonamide
CID 97464155
N-(4-oxocyclohexyl)-4-phenylbenzenesulfonamide
CID 67130795
N-(1-methyl-5-oxopyrrolidin-3-yl)benzenesulfonamide
CID 110736572
N-[1-(benzenesulfonyl)-6-phenyl-3,4-dihydro-2H-quinolin-3-yl]benzenesulfonamide
CID 25006923
4-chloro-N-(7-ethenyl-1,2,3,4-tetrahydronaphthalen-2-yl)benzenesulfonamide
CID 173275861
N-cyclopropyl-4-phenylbenzenesulfonamide
CID 110757630
N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 43653533
N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685431
N-[1-(benzenesulfonyl)pyrrolidin-3-yl]benzenesulfonamide
CID 91241867
N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]-3-(1H-pyrrol-2-yl)propanamide
CID 131683006

Frequently Asked Questions

What is the IUPAC name of N-[(6R)-2-oxo-1-prop-2-enyl-5,6,7,8-tetrahydroquinolin-6-yl]benzenesulfonamide?
The IUPAC name of N-[(6R)-2-oxo-1-prop-2-enyl-5,6,7,8-tetrahydroquinolin-6-yl]benzenesulfonamide (CID 97389951) is N-[(6R)-2-oxo-1-prop-2-enyl-5,6,7,8-tetrahydroquinolin-6-yl]benzenesulfonamide.
What is the SMILES notation for N-[(6R)-2-oxo-1-prop-2-enyl-5,6,7,8-tetrahydroquinolin-6-yl]benzenesulfonamide?
The canonical SMILES for N-[(6R)-2-oxo-1-prop-2-enyl-5,6,7,8-tetrahydroquinolin-6-yl]benzenesulfonamide is C=CCn1c2c(ccc1=O)C[C@H](NS(=O)(=O)c1ccccc1)CC2.
What is the InChIKey of N-[(6R)-2-oxo-1-prop-2-enyl-5,6,7,8-tetrahydroquinolin-6-yl]benzenesulfonamide?
The InChIKey is SASDLDQMOCVYDT-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-2-12-20-17-10-9-15(13-14(17)8-11-18(20)21)19-24(22,23)16-6-4-3-5-7-16/h2-8,11,15,19H,1,9-10,12-13H2/t15-/m1/s1.
What are the key properties of N-[(6R)-2-oxo-1-prop-2-enyl-5,6,7,8-tetrahydroquinolin-6-yl]benzenesulfonamide?
N-[(6R)-2-oxo-1-prop-2-enyl-5,6,7,8-tetrahydroquinolin-6-yl]benzenesulfonamide has a molecular weight of 344.44 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6R)-2-oxo-1-prop-2-enyl-5,6,7,8-tetrahydroquinolin-6-yl]benzenesulfonamide is sourced from PubChem (CID 97389951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).