N-ethyl-2-[(2-fluoro-5-methylphenyl)sulfonylamino]quinoline-4-carboxamide

C19H18FN3O3S — CID 71907413

IUPACN-ethyl-2-[(2-fluoro-5-methylphenyl)sulfonylamino]quinoline-4-carboxamide
SMILESCCNC(=O)c1cc(NS(=O)(=O)c2cc(C)ccc2F)nc2ccccc12
InChIInChI=1S/C19H18FN3O3S/c1-3-21-19(24)14-11-18(22-16-7-5-4-6-13(14)16)23-27(25,26)17-10-12(2)8-9-15(17)20/h4-11H,3H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyVTLRJOWZZIYKRC-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.23
Rot. Bonds5

About N-ethyl-2-[(2-fluoro-5-methylphenyl)sulfonylamino]quinoline-4-carboxamide

N-ethyl-2-[(2-fluoro-5-methylphenyl)sulfonylamino]quinoline-4-carboxamide (PubChem CID 71907413) has the molecular formula C19H18FN3O3S and a molecular weight of 387.44 g/mol. Its IUPAC name is N-ethyl-2-[(2-fluoro-5-methylphenyl)sulfonylamino]quinoline-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-[(2-fluoro-5-methylphenyl)sulfonylamino]quinoline-4-carboxamide
PubChem CID71907413
Molecular FormulaC19H18FN3O3S
Molecular Weight387.44 g/mol
Exact Mass387.11
IUPAC NameN-ethyl-2-[(2-fluoro-5-methylphenyl)sulfonylamino]quinoline-4-carboxamide
SMILESCCNC(=O)c1cc(NS(=O)(=O)c2cc(C)ccc2F)nc2ccccc12
InChIInChI=1S/C19H18FN3O3S/c1-3-21-19(24)14-11-18(22-16-7-5-4-6-13(14)16)23-27(25,26)17-10-12(2)8-9-15(17)20/h4-11H,3H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyVTLRJOWZZIYKRC-UHFFFAOYSA-N
XLogP3.23
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(2-fluoro-5-methylphenyl)sulfonylamino]quinoline-4-carboxamide?
The IUPAC name of N-ethyl-2-[(2-fluoro-5-methylphenyl)sulfonylamino]quinoline-4-carboxamide (CID 71907413) is N-ethyl-2-[(2-fluoro-5-methylphenyl)sulfonylamino]quinoline-4-carboxamide.
What is the SMILES notation for N-ethyl-2-[(2-fluoro-5-methylphenyl)sulfonylamino]quinoline-4-carboxamide?
The canonical SMILES for N-ethyl-2-[(2-fluoro-5-methylphenyl)sulfonylamino]quinoline-4-carboxamide is CCNC(=O)c1cc(NS(=O)(=O)c2cc(C)ccc2F)nc2ccccc12.
What is the InChIKey of N-ethyl-2-[(2-fluoro-5-methylphenyl)sulfonylamino]quinoline-4-carboxamide?
The InChIKey is VTLRJOWZZIYKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3S/c1-3-21-19(24)14-11-18(22-16-7-5-4-6-13(14)16)23-27(25,26)17-10-12(2)8-9-15(17)20/h4-11H,3H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of N-ethyl-2-[(2-fluoro-5-methylphenyl)sulfonylamino]quinoline-4-carboxamide?
N-ethyl-2-[(2-fluoro-5-methylphenyl)sulfonylamino]quinoline-4-carboxamide has a molecular weight of 387.44 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(2-fluoro-5-methylphenyl)sulfonylamino]quinoline-4-carboxamide is sourced from PubChem (CID 71907413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).