N-[3-[[3-(3-fluorophenoxy)propylamino]methyl]phenyl]naphthalene-2-sulfonamide

C26H25FN2O3S — CID 71738589

IUPACN-[3-[[3-(3-fluorophenoxy)propylamino]methyl]phenyl]naphthalene-2-sulfonamide
SMILESO=S(=O)(Nc1cccc(CNCCCOc2cccc(F)c2)c1)c1ccc2ccccc2c1
InChIInChI=1S/C26H25FN2O3S/c27-23-9-4-11-25(18-23)32-15-5-14-28-19-20-6-3-10-24(16-20)29-33(30,31)26-13-12-21-7-1-2-8-22(21)17-26/h1-4,6-13,16-18,28-29H,5,14-15,19H2
InChIKeyNGXKTQKLIZPCHZ-UHFFFAOYSA-N
MW464.56 g/mol
LogP5.34
Rot. Bonds10

About N-[3-[[3-(3-fluorophenoxy)propylamino]methyl]phenyl]naphthalene-2-sulfonamide

N-[3-[[3-(3-fluorophenoxy)propylamino]methyl]phenyl]naphthalene-2-sulfonamide (PubChem CID 71738589) has the molecular formula C26H25FN2O3S and a molecular weight of 464.56 g/mol. Its IUPAC name is N-[3-[[3-(3-fluorophenoxy)propylamino]methyl]phenyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-[[3-(3-fluorophenoxy)propylamino]methyl]phenyl]naphthalene-2-sulfonamide
PubChem CID71738589
Molecular FormulaC26H25FN2O3S
Molecular Weight464.56 g/mol
Exact Mass464.16
IUPAC NameN-[3-[[3-(3-fluorophenoxy)propylamino]methyl]phenyl]naphthalene-2-sulfonamide
SMILESO=S(=O)(Nc1cccc(CNCCCOc2cccc(F)c2)c1)c1ccc2ccccc2c1
InChIInChI=1S/C26H25FN2O3S/c27-23-9-4-11-25(18-23)32-15-5-14-28-19-20-6-3-10-24(16-20)29-33(30,31)26-13-12-21-7-1-2-8-22(21)17-26/h1-4,6-13,16-18,28-29H,5,14-15,19H2
InChIKeyNGXKTQKLIZPCHZ-UHFFFAOYSA-N
XLogP5.34
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.56
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[[2-(3-methoxyphenoxy)ethylamino]methyl]phenyl]naphthalene-2-sulfonamide
CID 71738661
N-[3-[[2-(3-methoxyphenyl)ethylamino]methyl]phenyl]naphthalene-2-sulfonamide
CID 71738660
2-(3-fluorophenoxy)-N-[(3-methylphenyl)methyl]ethanamine
CID 39360189
N-[3-(aminomethyl)phenyl]-3-fluorobenzenesulfonamide
CID 16778006
N-[3-(2-aminoethoxy)phenyl]-4-fluorobenzenesulfonamide
CID 28755040
N-[3-[[2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)ethylamino]methyl]phenyl]-4-fluorobenzenesulfonamide
CID 71738733
2-chloro-N-[2-(3-fluorophenoxy)ethyl]-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 55657410
N-[3-[[3-(6-fluoro-1,2-benzoxazol-3-yl)propylamino]methyl]phenyl]naphthalene-1-sulfonamide
CID 71737938
4-(ethylaminomethyl)-N-(3-fluorophenyl)benzenesulfonamide
CID 28715922
N-(3-methylphenyl)naphthalene-2-sulfonamide
CID 965256
N-[3-[(N-ethylanilino)methyl]phenyl]naphthalene-2-sulfonamide
CID 71738586
N-[2-(3-fluorophenoxy)ethyl]-3,4-dimethoxybenzenesulfonamide
CID 113099287

Frequently Asked Questions

What is the IUPAC name of N-[3-[[3-(3-fluorophenoxy)propylamino]methyl]phenyl]naphthalene-2-sulfonamide?
The IUPAC name of N-[3-[[3-(3-fluorophenoxy)propylamino]methyl]phenyl]naphthalene-2-sulfonamide (CID 71738589) is N-[3-[[3-(3-fluorophenoxy)propylamino]methyl]phenyl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[3-[[3-(3-fluorophenoxy)propylamino]methyl]phenyl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[3-[[3-(3-fluorophenoxy)propylamino]methyl]phenyl]naphthalene-2-sulfonamide is O=S(=O)(Nc1cccc(CNCCCOc2cccc(F)c2)c1)c1ccc2ccccc2c1.
What is the InChIKey of N-[3-[[3-(3-fluorophenoxy)propylamino]methyl]phenyl]naphthalene-2-sulfonamide?
The InChIKey is NGXKTQKLIZPCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN2O3S/c27-23-9-4-11-25(18-23)32-15-5-14-28-19-20-6-3-10-24(16-20)29-33(30,31)26-13-12-21-7-1-2-8-22(21)17-26/h1-4,6-13,16-18,28-29H,5,14-15,19H2.
What are the key properties of N-[3-[[3-(3-fluorophenoxy)propylamino]methyl]phenyl]naphthalene-2-sulfonamide?
N-[3-[[3-(3-fluorophenoxy)propylamino]methyl]phenyl]naphthalene-2-sulfonamide has a molecular weight of 464.56 g/mol, XLogP of 5.34, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[3-(3-fluorophenoxy)propylamino]methyl]phenyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 71738589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).