N-[3-(4-fluorophenoxy)propyl]-1-methyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide

C19H21FN2O4S — CID 110428886

IUPACN-[3-(4-fluorophenoxy)propyl]-1-methyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide
SMILESCN1C(=O)CCc2cc(S(=O)(=O)NCCCOc3ccc(F)cc3)ccc21
InChIInChI=1S/C19H21FN2O4S/c1-22-18-9-8-17(13-14(18)3-10-19(22)23)27(24,25)21-11-2-12-26-16-6-4-15(20)5-7-16/h4-9,13,21H,2-3,10-12H2,1H3
InChIKeyDMVPPPUSOZSXSZ-UHFFFAOYSA-N
MW392.45 g/mol
LogP2.48
Rot. Bonds7

About N-[3-(4-fluorophenoxy)propyl]-1-methyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide

N-[3-(4-fluorophenoxy)propyl]-1-methyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide (PubChem CID 110428886) has the molecular formula C19H21FN2O4S and a molecular weight of 392.45 g/mol. Its IUPAC name is N-[3-(4-fluorophenoxy)propyl]-1-methyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenoxy)propyl]-1-methyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide
PubChem CID110428886
Molecular FormulaC19H21FN2O4S
Molecular Weight392.45 g/mol
Exact Mass392.12
IUPAC NameN-[3-(4-fluorophenoxy)propyl]-1-methyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide
SMILESCN1C(=O)CCc2cc(S(=O)(=O)NCCCOc3ccc(F)cc3)ccc21
InChIInChI=1S/C19H21FN2O4S/c1-22-18-9-8-17(13-14(18)3-10-19(22)23)27(24,25)21-11-2-12-26-16-6-4-15(20)5-7-16/h4-9,13,21H,2-3,10-12H2,1H3
InChIKeyDMVPPPUSOZSXSZ-UHFFFAOYSA-N
XLogP2.48
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.45
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-fluorophenoxy)ethyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 113099232
N-(cyclopentylmethyl)-1-methyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide
CID 110627587
4-fluoro-N-[2-(4-fluorophenoxy)ethyl]benzenesulfonamide
CID 3127035
N-(2,6-difluorophenyl)-1-methyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide
CID 110383268
N-[3-(4-fluorophenoxy)propyl]benzenesulfonamide
CID 110288244
N-[2-(2-ethylphenoxy)ethyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 113099946
N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide
CID 110383196
N-[2-(4-ethoxyphenoxy)ethyl]-4-fluorobenzenesulfonamide
CID 40753911
N-[2-(4-fluorophenoxy)ethyl]-3,4-dimethoxybenzenesulfonamide
CID 30365751
N-(3,4-difluorophenyl)-1-methyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide
CID 110383269
N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-(2-methylpropoxy)benzenesulfonamide
CID 40889564
1-methyl-N-(5-methylhexyl)-2-oxo-3H-indole-5-sulfonamide
CID 110672112

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenoxy)propyl]-1-methyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide?
The IUPAC name of N-[3-(4-fluorophenoxy)propyl]-1-methyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide (CID 110428886) is N-[3-(4-fluorophenoxy)propyl]-1-methyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide.
What is the SMILES notation for N-[3-(4-fluorophenoxy)propyl]-1-methyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide?
The canonical SMILES for N-[3-(4-fluorophenoxy)propyl]-1-methyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide is CN1C(=O)CCc2cc(S(=O)(=O)NCCCOc3ccc(F)cc3)ccc21.
What is the InChIKey of N-[3-(4-fluorophenoxy)propyl]-1-methyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide?
The InChIKey is DMVPPPUSOZSXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O4S/c1-22-18-9-8-17(13-14(18)3-10-19(22)23)27(24,25)21-11-2-12-26-16-6-4-15(20)5-7-16/h4-9,13,21H,2-3,10-12H2,1H3.
What are the key properties of N-[3-(4-fluorophenoxy)propyl]-1-methyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide?
N-[3-(4-fluorophenoxy)propyl]-1-methyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide has a molecular weight of 392.45 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenoxy)propyl]-1-methyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide is sourced from PubChem (CID 110428886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).