4-amino-N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]benzenesulfonamide

C20H19FN2O3S — CID 20993729

IUPAC4-amino-N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)NCc2ccccc2OCc2ccccc2F)cc1
InChIInChI=1S/C20H19FN2O3S/c21-19-7-3-1-6-16(19)14-26-20-8-4-2-5-15(20)13-23-27(24,25)18-11-9-17(22)10-12-18/h1-12,23H,13-14,22H2
InChIKeyQVSDUBFRLFXMCV-UHFFFAOYSA-N
MW386.45 g/mol
LogP3.47
Rot. Bonds7

About 4-amino-N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]benzenesulfonamide

4-amino-N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]benzenesulfonamide (PubChem CID 20993729) has the molecular formula C20H19FN2O3S and a molecular weight of 386.45 g/mol. Its IUPAC name is 4-amino-N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]benzenesulfonamide
PubChem CID20993729
Molecular FormulaC20H19FN2O3S
Molecular Weight386.45 g/mol
Exact Mass386.11
IUPAC Name4-amino-N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)NCc2ccccc2OCc2ccccc2F)cc1
InChIInChI=1S/C20H19FN2O3S/c21-19-7-3-1-6-16(19)14-26-20-8-4-2-5-15(20)13-23-27(24,25)18-11-9-17(22)10-12-18/h1-12,23H,13-14,22H2
InChIKeyQVSDUBFRLFXMCV-UHFFFAOYSA-N
XLogP3.47
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]benzenesulfonamide?
The IUPAC name of 4-amino-N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]benzenesulfonamide (CID 20993729) is 4-amino-N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-amino-N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]benzenesulfonamide?
The canonical SMILES for 4-amino-N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]benzenesulfonamide is Nc1ccc(S(=O)(=O)NCc2ccccc2OCc2ccccc2F)cc1.
What is the InChIKey of 4-amino-N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]benzenesulfonamide?
The InChIKey is QVSDUBFRLFXMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O3S/c21-19-7-3-1-6-16(19)14-26-20-8-4-2-5-15(20)13-23-27(24,25)18-11-9-17(22)10-12-18/h1-12,23H,13-14,22H2.
What are the key properties of 4-amino-N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]benzenesulfonamide?
4-amino-N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]benzenesulfonamide has a molecular weight of 386.45 g/mol, XLogP of 3.47, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 20993729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).