N-[(Z)-3-(4-chlorophenyl)sulfonylbut-2-enyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

C20H21ClN2O4S — CID 170637870

IUPACN-[(Z)-3-(4-chlorophenyl)sulfonylbut-2-enyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESC/C(=C/CNC(=O)c1cc2c([nH]c1=O)CCCC2)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H21ClN2O4S/c1-13(28(26,27)16-8-6-15(21)7-9-16)10-11-22-19(24)17-12-14-4-2-3-5-18(14)23-20(17)25/h6-10,12H,2-5,11H2,1H3,(H,22,24)(H,23,25)/b13-10-
InChIKeyYGWGSLYNBIPSLH-RAXLEYEMSA-N
MW420.92 g/mol
LogP3.01
Rot. Bonds5

About N-[(Z)-3-(4-chlorophenyl)sulfonylbut-2-enyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

N-[(Z)-3-(4-chlorophenyl)sulfonylbut-2-enyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 170637870) has the molecular formula C20H21ClN2O4S and a molecular weight of 420.92 g/mol. Its IUPAC name is N-[(Z)-3-(4-chlorophenyl)sulfonylbut-2-enyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-3-(4-chlorophenyl)sulfonylbut-2-enyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
PubChem CID170637870
Molecular FormulaC20H21ClN2O4S
Molecular Weight420.92 g/mol
Exact Mass420.09
IUPAC NameN-[(Z)-3-(4-chlorophenyl)sulfonylbut-2-enyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESC/C(=C/CNC(=O)c1cc2c([nH]c1=O)CCCC2)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H21ClN2O4S/c1-13(28(26,27)16-8-6-15(21)7-9-16)10-11-22-19(24)17-12-14-4-2-3-5-18(14)23-20(17)25/h6-10,12H,2-5,11H2,1H3,(H,22,24)(H,23,25)/b13-10-
InChIKeyYGWGSLYNBIPSLH-RAXLEYEMSA-N
XLogP3.01
TPSA96.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.92
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(Z)-3-(4-chlorophenyl)sulfonylbut-2-enyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide with MolForge

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Related Compounds

3-(4-chlorophenyl)sulfonyl-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 24819683
N-[(E)-3-(2-fluorophenyl)sulfonylprop-2-enyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 170637751
N-[(Z)-3-(2-fluorophenyl)sulfonylbut-2-enyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 170637772
N-[(E)-3-(2-fluorophenyl)sulfonylbut-2-enyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 170637779
2,2,2-trifluoroethyl 3-[[(E)-3-(4-chlorophenyl)sulfonylprop-2-enyl]carbamoyl]-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridine-6-carboxylate
CID 170637797
N-[(Z)-3-(4-chlorophenyl)sulfonyl-3-fluoroprop-2-enyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 170637798
N-[(E)-3-(3-fluorophenyl)sulfonylprop-2-enyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 170637824
2,2-difluoroethyl 3-[[(E)-3-(4-chlorophenyl)sulfonylprop-2-enyl]carbamoyl]-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridine-6-carboxylate
CID 170637845
N-[(Z)-3-(benzenesulfonyl)-3-fluoroprop-2-enyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 170637882
N-[(E)-3-(4-fluorophenyl)sulfonylprop-2-enyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 170637884
N-[(E)-3-(2-chloro-4-fluorophenyl)sulfonylprop-2-enyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 170637885
N-[(E)-3-(benzenesulfonyl)-3-fluoroprop-2-enyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 170637909

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3-(4-chlorophenyl)sulfonylbut-2-enyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The IUPAC name of N-[(Z)-3-(4-chlorophenyl)sulfonylbut-2-enyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CID 170637870) is N-[(Z)-3-(4-chlorophenyl)sulfonylbut-2-enyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[(Z)-3-(4-chlorophenyl)sulfonylbut-2-enyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[(Z)-3-(4-chlorophenyl)sulfonylbut-2-enyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is C/C(=C/CNC(=O)c1cc2c([nH]c1=O)CCCC2)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-[(Z)-3-(4-chlorophenyl)sulfonylbut-2-enyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The InChIKey is YGWGSLYNBIPSLH-RAXLEYEMSA-N. The full InChI is InChI=1S/C20H21ClN2O4S/c1-13(28(26,27)16-8-6-15(21)7-9-16)10-11-22-19(24)17-12-14-4-2-3-5-18(14)23-20(17)25/h6-10,12H,2-5,11H2,1H3,(H,22,24)(H,23,25)/b13-10-.
What are the key properties of N-[(Z)-3-(4-chlorophenyl)sulfonylbut-2-enyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
N-[(Z)-3-(4-chlorophenyl)sulfonylbut-2-enyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 420.92 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-(4-chlorophenyl)sulfonylbut-2-enyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 170637870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).