N-tert-butyl-6-[ethyl-(4-fluorophenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide

C22H24FN3O4S — CID 4621014

IUPACN-tert-butyl-6-[ethyl-(4-fluorophenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide
SMILESCCN(c1ccc(F)cc1)S(=O)(=O)c1ccc2[nH]cc(C(=O)NC(C)(C)C)c(=O)c2c1
InChIInChI=1S/C22H24FN3O4S/c1-5-26(15-8-6-14(23)7-9-15)31(29,30)16-10-11-19-17(12-16)20(27)18(13-24-19)21(28)25-22(2,3)4/h6-13H,5H2,1-4H3,(H,24,27)(H,25,28)
InChIKeyFFNSLOSLPNEEGR-UHFFFAOYSA-N
MW445.52 g/mol
LogP3.41
Rot. Bonds5

About N-tert-butyl-6-[ethyl-(4-fluorophenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide

N-tert-butyl-6-[ethyl-(4-fluorophenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 4621014) has the molecular formula C22H24FN3O4S and a molecular weight of 445.52 g/mol. Its IUPAC name is N-tert-butyl-6-[ethyl-(4-fluorophenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-6-[ethyl-(4-fluorophenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide
PubChem CID4621014
Molecular FormulaC22H24FN3O4S
Molecular Weight445.52 g/mol
Exact Mass445.15
IUPAC NameN-tert-butyl-6-[ethyl-(4-fluorophenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide
SMILESCCN(c1ccc(F)cc1)S(=O)(=O)c1ccc2[nH]cc(C(=O)NC(C)(C)C)c(=O)c2c1
InChIInChI=1S/C22H24FN3O4S/c1-5-26(15-8-6-14(23)7-9-15)31(29,30)16-10-11-19-17(12-16)20(27)18(13-24-19)21(28)25-22(2,3)4/h6-13H,5H2,1-4H3,(H,24,27)(H,25,28)
InChIKeyFFNSLOSLPNEEGR-UHFFFAOYSA-N
XLogP3.41
TPSA99.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-6-[ethyl-(4-fluorophenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-tert-butyl-6-[ethyl-(4-fluorophenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide (CID 4621014) is N-tert-butyl-6-[ethyl-(4-fluorophenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-tert-butyl-6-[ethyl-(4-fluorophenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-tert-butyl-6-[ethyl-(4-fluorophenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide is CCN(c1ccc(F)cc1)S(=O)(=O)c1ccc2[nH]cc(C(=O)NC(C)(C)C)c(=O)c2c1.
What is the InChIKey of N-tert-butyl-6-[ethyl-(4-fluorophenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is FFNSLOSLPNEEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O4S/c1-5-26(15-8-6-14(23)7-9-15)31(29,30)16-10-11-19-17(12-16)20(27)18(13-24-19)21(28)25-22(2,3)4/h6-13H,5H2,1-4H3,(H,24,27)(H,25,28).
What are the key properties of N-tert-butyl-6-[ethyl-(4-fluorophenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide?
N-tert-butyl-6-[ethyl-(4-fluorophenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 445.52 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-6-[ethyl-(4-fluorophenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 4621014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).