4-[[2-[(2-fluorophenyl)methoxy]phenyl]methylamino]benzenesulfonamide

C20H19FN2O3S — CID 979802

IUPAC4-[[2-[(2-fluorophenyl)methoxy]phenyl]methylamino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NCc2ccccc2OCc2ccccc2F)cc1
InChIInChI=1S/C20H19FN2O3S/c21-19-7-3-1-6-16(19)14-26-20-8-4-2-5-15(20)13-23-17-9-11-18(12-10-17)27(22,24)25/h1-12,23H,13-14H2,(H2,22,24,25)
InChIKeyCJNRJNMFHHUHLP-UHFFFAOYSA-N
MW386.45 g/mol
LogP3.66
Rot. Bonds7

About 4-[[2-[(2-fluorophenyl)methoxy]phenyl]methylamino]benzenesulfonamide

4-[[2-[(2-fluorophenyl)methoxy]phenyl]methylamino]benzenesulfonamide (PubChem CID 979802) has the molecular formula C20H19FN2O3S and a molecular weight of 386.45 g/mol. Its IUPAC name is 4-[[2-[(2-fluorophenyl)methoxy]phenyl]methylamino]benzenesulfonamide.

Molecular Properties

Compound Name4-[[2-[(2-fluorophenyl)methoxy]phenyl]methylamino]benzenesulfonamide
PubChem CID979802
Molecular FormulaC20H19FN2O3S
Molecular Weight386.45 g/mol
Exact Mass386.11
IUPAC Name4-[[2-[(2-fluorophenyl)methoxy]phenyl]methylamino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NCc2ccccc2OCc2ccccc2F)cc1
InChIInChI=1S/C20H19FN2O3S/c21-19-7-3-1-6-16(19)14-26-20-8-4-2-5-15(20)13-23-17-9-11-18(12-10-17)27(22,24)25/h1-12,23H,13-14H2,(H2,22,24,25)
InChIKeyCJNRJNMFHHUHLP-UHFFFAOYSA-N
XLogP3.66
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 ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(2-fluorophenyl)methoxy]phenyl]methylamino]benzenesulfonamide?
The IUPAC name of 4-[[2-[(2-fluorophenyl)methoxy]phenyl]methylamino]benzenesulfonamide (CID 979802) is 4-[[2-[(2-fluorophenyl)methoxy]phenyl]methylamino]benzenesulfonamide.
What is the SMILES notation for 4-[[2-[(2-fluorophenyl)methoxy]phenyl]methylamino]benzenesulfonamide?
The canonical SMILES for 4-[[2-[(2-fluorophenyl)methoxy]phenyl]methylamino]benzenesulfonamide is NS(=O)(=O)c1ccc(NCc2ccccc2OCc2ccccc2F)cc1.
What is the InChIKey of 4-[[2-[(2-fluorophenyl)methoxy]phenyl]methylamino]benzenesulfonamide?
The InChIKey is CJNRJNMFHHUHLP-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)13-23-17-9-11-18(12-10-17)27(22,24)25/h1-12,23H,13-14H2,(H2,22,24,25).
What are the key properties of 4-[[2-[(2-fluorophenyl)methoxy]phenyl]methylamino]benzenesulfonamide?
4-[[2-[(2-fluorophenyl)methoxy]phenyl]methylamino]benzenesulfonamide has a molecular weight of 386.45 g/mol, XLogP of 3.66, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(2-fluorophenyl)methoxy]phenyl]methylamino]benzenesulfonamide is sourced from PubChem (CID 979802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).