N-[2-(3-fluorophenyl)-2-methoxyethyl]quinoline-8-sulfonamide

C18H17FN2O3S — CID 90623090

IUPACN-[2-(3-fluorophenyl)-2-methoxyethyl]quinoline-8-sulfonamide
SMILESCOC(CNS(=O)(=O)c1cccc2cccnc12)c1cccc(F)c1
InChIInChI=1S/C18H17FN2O3S/c1-24-16(14-6-2-8-15(19)11-14)12-21-25(22,23)17-9-3-5-13-7-4-10-20-18(13)17/h2-11,16,21H,12H2,1H3
InChIKeyPQRWZXFWLCQOAA-UHFFFAOYSA-N
MW360.41 g/mol
LogP3.04
Rot. Bonds6

About N-[2-(3-fluorophenyl)-2-methoxyethyl]quinoline-8-sulfonamide

N-[2-(3-fluorophenyl)-2-methoxyethyl]quinoline-8-sulfonamide (PubChem CID 90623090) has the molecular formula C18H17FN2O3S and a molecular weight of 360.41 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)-2-methoxyethyl]quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)-2-methoxyethyl]quinoline-8-sulfonamide
PubChem CID90623090
Molecular FormulaC18H17FN2O3S
Molecular Weight360.41 g/mol
Exact Mass360.09
IUPAC NameN-[2-(3-fluorophenyl)-2-methoxyethyl]quinoline-8-sulfonamide
SMILESCOC(CNS(=O)(=O)c1cccc2cccnc12)c1cccc(F)c1
InChIInChI=1S/C18H17FN2O3S/c1-24-16(14-6-2-8-15(19)11-14)12-21-25(22,23)17-9-3-5-13-7-4-10-20-18(13)17/h2-11,16,21H,12H2,1H3
InChIKeyPQRWZXFWLCQOAA-UHFFFAOYSA-N
XLogP3.04
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)-2-methoxyethyl]quinoline-8-sulfonamide?
The IUPAC name of N-[2-(3-fluorophenyl)-2-methoxyethyl]quinoline-8-sulfonamide (CID 90623090) is N-[2-(3-fluorophenyl)-2-methoxyethyl]quinoline-8-sulfonamide.
What is the SMILES notation for N-[2-(3-fluorophenyl)-2-methoxyethyl]quinoline-8-sulfonamide?
The canonical SMILES for N-[2-(3-fluorophenyl)-2-methoxyethyl]quinoline-8-sulfonamide is COC(CNS(=O)(=O)c1cccc2cccnc12)c1cccc(F)c1.
What is the InChIKey of N-[2-(3-fluorophenyl)-2-methoxyethyl]quinoline-8-sulfonamide?
The InChIKey is PQRWZXFWLCQOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O3S/c1-24-16(14-6-2-8-15(19)11-14)12-21-25(22,23)17-9-3-5-13-7-4-10-20-18(13)17/h2-11,16,21H,12H2,1H3.
What are the key properties of N-[2-(3-fluorophenyl)-2-methoxyethyl]quinoline-8-sulfonamide?
N-[2-(3-fluorophenyl)-2-methoxyethyl]quinoline-8-sulfonamide has a molecular weight of 360.41 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)-2-methoxyethyl]quinoline-8-sulfonamide is sourced from PubChem (CID 90623090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).