N-[2-(2-fluorophenyl)-2-methoxypropyl]quinoline-8-sulfonamide

C19H19FN2O3S — CID 90599270

IUPACN-[2-(2-fluorophenyl)-2-methoxypropyl]quinoline-8-sulfonamide
SMILESCOC(C)(CNS(=O)(=O)c1cccc2cccnc12)c1ccccc1F
InChIInChI=1S/C19H19FN2O3S/c1-19(25-2,15-9-3-4-10-16(15)20)13-22-26(23,24)17-11-5-7-14-8-6-12-21-18(14)17/h3-12,22H,13H2,1-2H3
InChIKeyXBZLHFCHEFTWNZ-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.21
Rot. Bonds6

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

N-[2-(2-fluorophenyl)-2-methoxypropyl]quinoline-8-sulfonamide (PubChem CID 90599270) has the molecular formula C19H19FN2O3S and a molecular weight of 374.44 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)-2-methoxypropyl]quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)-2-methoxypropyl]quinoline-8-sulfonamide
PubChem CID90599270
Molecular FormulaC19H19FN2O3S
Molecular Weight374.44 g/mol
Exact Mass374.11
IUPAC NameN-[2-(2-fluorophenyl)-2-methoxypropyl]quinoline-8-sulfonamide
SMILESCOC(C)(CNS(=O)(=O)c1cccc2cccnc12)c1ccccc1F
InChIInChI=1S/C19H19FN2O3S/c1-19(25-2,15-9-3-4-10-16(15)20)13-22-26(23,24)17-11-5-7-14-8-6-12-21-18(14)17/h3-12,22H,13H2,1-2H3
InChIKeyXBZLHFCHEFTWNZ-UHFFFAOYSA-N
XLogP3.21
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-({2-[(2-methylphenyl)methoxy]ethyl}amino)ethyl]isoquinoline-5-sulfonamide
CID 11749925
N-[2-(4-fluorophenyl)ethyl]-8-quinolinesulfonamide
CID 16189761
4-Benzyl-5-quinolin-8-ylsulfonyl-1,3,4,6-tetrahydro-2,5-benzoxazocine
CID 68233447
(3R,4R)-3-benzyl-4-methoxy-2-quinolin-8-ylsulfonyl-1,3,4,5-tetrahydro-2-benzazepine
CID 71557114
N-(2-methoxyethyl)quinoline-8-sulfonamide
CID 3452964
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinoline-8-sulfonamide
CID 57392107
N-(5-tert-butyl-2-methoxyphenyl)quinoline-8-sulfonamide
CID 1225847
N-(4-methoxyphenyl)quinoline-8-sulfonamide
CID 644511
N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-8-quinolinesulfonamide
CID 44237405
N-(2-methoxyphenyl)quinoline-8-sulfonamide
CID 4153810
methyl 4-[(E)-2-propyl-1-(quinolin-8-ylsulfonylamino)hex-2-enyl]benzoate
CID 5771842
(5-Fluoro-2-methylphenyl)(8-quinolylsulfonyl)amine
CID 753228

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)-2-methoxypropyl]quinoline-8-sulfonamide?
The IUPAC name of N-[2-(2-fluorophenyl)-2-methoxypropyl]quinoline-8-sulfonamide (CID 90599270) is N-[2-(2-fluorophenyl)-2-methoxypropyl]quinoline-8-sulfonamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)-2-methoxypropyl]quinoline-8-sulfonamide?
The canonical SMILES for N-[2-(2-fluorophenyl)-2-methoxypropyl]quinoline-8-sulfonamide is COC(C)(CNS(=O)(=O)c1cccc2cccnc12)c1ccccc1F.
What is the InChIKey of N-[2-(2-fluorophenyl)-2-methoxypropyl]quinoline-8-sulfonamide?
The InChIKey is XBZLHFCHEFTWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O3S/c1-19(25-2,15-9-3-4-10-16(15)20)13-22-26(23,24)17-11-5-7-14-8-6-12-21-18(14)17/h3-12,22H,13H2,1-2H3.
What are the key properties of N-[2-(2-fluorophenyl)-2-methoxypropyl]quinoline-8-sulfonamide?
N-[2-(2-fluorophenyl)-2-methoxypropyl]quinoline-8-sulfonamide has a molecular weight of 374.44 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)-2-methoxypropyl]quinoline-8-sulfonamide is sourced from PubChem (CID 90599270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).