N-(3-fluorophenyl)-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide

C20H18FN3O3S — CID 5307304

IUPACN-(3-fluorophenyl)-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide
SMILESO=C(Nc1cccc(F)c1)C1CCCN1S(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C20H18FN3O3S/c21-15-7-2-8-16(13-15)23-20(25)17-9-4-12-24(17)28(26,27)18-10-1-5-14-6-3-11-22-19(14)18/h1-3,5-8,10-11,13,17H,4,9,12H2,(H,23,25)
InChIKeyVIJQEYHQVHJKAP-UHFFFAOYSA-N
MW399.45 g/mol
LogP3.17
Rot. Bonds4

About N-(3-fluorophenyl)-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide

N-(3-fluorophenyl)-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide (PubChem CID 5307304) has the molecular formula C20H18FN3O3S and a molecular weight of 399.45 g/mol. Its IUPAC name is N-(3-fluorophenyl)-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide
PubChem CID5307304
Molecular FormulaC20H18FN3O3S
Molecular Weight399.45 g/mol
Exact Mass399.11
IUPAC NameN-(3-fluorophenyl)-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide
SMILESO=C(Nc1cccc(F)c1)C1CCCN1S(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C20H18FN3O3S/c21-15-7-2-8-16(13-15)23-20(25)17-9-4-12-24(17)28(26,27)18-10-1-5-14-6-3-11-22-19(14)18/h1-3,5-8,10-11,13,17H,4,9,12H2,(H,23,25)
InChIKeyVIJQEYHQVHJKAP-UHFFFAOYSA-N
XLogP3.17
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide (CID 5307304) is N-(3-fluorophenyl)-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide is O=C(Nc1cccc(F)c1)C1CCCN1S(=O)(=O)c1cccc2cccnc12.
What is the InChIKey of N-(3-fluorophenyl)-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide?
The InChIKey is VIJQEYHQVHJKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O3S/c21-15-7-2-8-16(13-15)23-20(25)17-9-4-12-24(17)28(26,27)18-10-1-5-14-6-3-11-22-19(14)18/h1-3,5-8,10-11,13,17H,4,9,12H2,(H,23,25).
What are the key properties of N-(3-fluorophenyl)-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide?
N-(3-fluorophenyl)-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide has a molecular weight of 399.45 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 5307304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).