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

C19H18ClFN2O4S — CID 170637933

IUPACN-[(E)-3-(4-chlorophenyl)sulfonyl-3-fluoroprop-2-enyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESO=C(NC/C=C(\F)S(=O)(=O)c1ccc(Cl)cc1)c1cc2c([nH]c1=O)CCCC2
InChIInChI=1S/C19H18ClFN2O4S/c20-13-5-7-14(8-6-13)28(26,27)17(21)9-10-22-18(24)15-11-12-3-1-2-4-16(12)23-19(15)25/h5-9,11H,1-4,10H2,(H,22,24)(H,23,25)/b17-9+
InChIKeyPCZOELNUYXGNIJ-RQZCQDPDSA-N
MW424.88 g/mol
LogP2.92
Rot. Bonds5

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

N-[(E)-3-(4-chlorophenyl)sulfonyl-3-fluoroprop-2-enyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 170637933) has the molecular formula C19H18ClFN2O4S and a molecular weight of 424.88 g/mol. Its IUPAC name is N-[(E)-3-(4-chlorophenyl)sulfonyl-3-fluoroprop-2-enyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-3-(4-chlorophenyl)sulfonyl-3-fluoroprop-2-enyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
PubChem CID170637933
Molecular FormulaC19H18ClFN2O4S
Molecular Weight424.88 g/mol
Exact Mass424.07
IUPAC NameN-[(E)-3-(4-chlorophenyl)sulfonyl-3-fluoroprop-2-enyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESO=C(NC/C=C(\F)S(=O)(=O)c1ccc(Cl)cc1)c1cc2c([nH]c1=O)CCCC2
InChIInChI=1S/C19H18ClFN2O4S/c20-13-5-7-14(8-6-13)28(26,27)17(21)9-10-22-18(24)15-11-12-3-1-2-4-16(12)23-19(15)25/h5-9,11H,1-4,10H2,(H,22,24)(H,23,25)/b17-9+
InChIKeyPCZOELNUYXGNIJ-RQZCQDPDSA-N
XLogP2.92
TPSA96.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.88
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-(4-chlorophenyl)sulfonyl-3-fluoroprop-2-enyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The IUPAC name of N-[(E)-3-(4-chlorophenyl)sulfonyl-3-fluoroprop-2-enyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CID 170637933) is N-[(E)-3-(4-chlorophenyl)sulfonyl-3-fluoroprop-2-enyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[(E)-3-(4-chlorophenyl)sulfonyl-3-fluoroprop-2-enyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[(E)-3-(4-chlorophenyl)sulfonyl-3-fluoroprop-2-enyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is O=C(NC/C=C(\F)S(=O)(=O)c1ccc(Cl)cc1)c1cc2c([nH]c1=O)CCCC2.
What is the InChIKey of N-[(E)-3-(4-chlorophenyl)sulfonyl-3-fluoroprop-2-enyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The InChIKey is PCZOELNUYXGNIJ-RQZCQDPDSA-N. The full InChI is InChI=1S/C19H18ClFN2O4S/c20-13-5-7-14(8-6-13)28(26,27)17(21)9-10-22-18(24)15-11-12-3-1-2-4-16(12)23-19(15)25/h5-9,11H,1-4,10H2,(H,22,24)(H,23,25)/b17-9+.
What are the key properties of N-[(E)-3-(4-chlorophenyl)sulfonyl-3-fluoroprop-2-enyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
N-[(E)-3-(4-chlorophenyl)sulfonyl-3-fluoroprop-2-enyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 424.88 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-(4-chlorophenyl)sulfonyl-3-fluoroprop-2-enyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 170637933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).