3-[[4-[(4-fluorophenyl)methoxy]phenyl]methylamino]benzenesulfonamide

C20H19FN2O3S — CID 155529966

IUPAC3-[[4-[(4-fluorophenyl)methoxy]phenyl]methylamino]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(NCc2ccc(OCc3ccc(F)cc3)cc2)c1
InChIInChI=1S/C20H19FN2O3S/c21-17-8-4-16(5-9-17)14-26-19-10-6-15(7-11-19)13-23-18-2-1-3-20(12-18)27(22,24)25/h1-12,23H,13-14H2,(H2,22,24,25)
InChIKeyRTWZSOWWXNEMBB-UHFFFAOYSA-N
MW386.45 g/mol
LogP3.66
Rot. Bonds7

About 3-[[4-[(4-fluorophenyl)methoxy]phenyl]methylamino]benzenesulfonamide

3-[[4-[(4-fluorophenyl)methoxy]phenyl]methylamino]benzenesulfonamide (PubChem CID 155529966) has the molecular formula C20H19FN2O3S and a molecular weight of 386.45 g/mol. Its IUPAC name is 3-[[4-[(4-fluorophenyl)methoxy]phenyl]methylamino]benzenesulfonamide.

Molecular Properties

Compound Name3-[[4-[(4-fluorophenyl)methoxy]phenyl]methylamino]benzenesulfonamide
PubChem CID155529966
Molecular FormulaC20H19FN2O3S
Molecular Weight386.45 g/mol
Exact Mass386.11
IUPAC Name3-[[4-[(4-fluorophenyl)methoxy]phenyl]methylamino]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(NCc2ccc(OCc3ccc(F)cc3)cc2)c1
InChIInChI=1S/C20H19FN2O3S/c21-17-8-4-16(5-9-17)14-26-19-10-6-15(7-11-19)13-23-18-2-1-3-20(12-18)27(22,24)25/h1-12,23H,13-14H2,(H2,22,24,25)
InChIKeyRTWZSOWWXNEMBB-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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Related Compounds

2,3,4,5-Tetrafluoro-6-[(4-methoxyphenyl)methylamino]benzenesulfonamide
CID 127047878
N-(2-Fluorophenyl)-4-[(4-Fluorophenyl)sulfonyl]-2,3,4,5-Tetrahydro-1,4-Benzoxazepin-6-Amine
CID 92045114
N-{3-[[4-(allyloxy)benzyl](benzyl)amino]-2-methylphenyl}methanesulfonamide
CID 18512192
4-[(4-Methoxybenzyl)amino]benzenesulfonamide
CID 834412
4-[(4-Ethoxybenzyl)amino]benzenesulfonamide
CID 935117
4-({2-[(2-Fluorobenzyl)oxy]benzyl}amino)benzenesulfonamide
CID 979802
4-({2-[(2-Fluorobenzyl)oxy]-3-methoxybenzyl}amino)benzenesulfonamide
CID 979804
4-[[5-Chloro-2-[(4-fluorophenyl)methoxy]phenyl]methylamino]benzenesulfonamide
CID 979809
4-[2-[(4-Phenylmethoxyphenyl)methylamino]ethyl]benzenesulfonamide
CID 4718142
N-[4-methoxy-3-[(4-phenylmethoxyphenyl)sulfamoyl]phenyl]acetamide
CID 4876778
2-(2-ethylphenoxy)-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 8195383
(E)-3-[4-(difluoromethoxy)phenyl]-N-(3-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 18075411

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[(4-fluorophenyl)methoxy]phenyl]methylamino]benzenesulfonamide?
The IUPAC name of 3-[[4-[(4-fluorophenyl)methoxy]phenyl]methylamino]benzenesulfonamide (CID 155529966) is 3-[[4-[(4-fluorophenyl)methoxy]phenyl]methylamino]benzenesulfonamide.
What is the SMILES notation for 3-[[4-[(4-fluorophenyl)methoxy]phenyl]methylamino]benzenesulfonamide?
The canonical SMILES for 3-[[4-[(4-fluorophenyl)methoxy]phenyl]methylamino]benzenesulfonamide is NS(=O)(=O)c1cccc(NCc2ccc(OCc3ccc(F)cc3)cc2)c1.
What is the InChIKey of 3-[[4-[(4-fluorophenyl)methoxy]phenyl]methylamino]benzenesulfonamide?
The InChIKey is RTWZSOWWXNEMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O3S/c21-17-8-4-16(5-9-17)14-26-19-10-6-15(7-11-19)13-23-18-2-1-3-20(12-18)27(22,24)25/h1-12,23H,13-14H2,(H2,22,24,25).
What are the key properties of 3-[[4-[(4-fluorophenyl)methoxy]phenyl]methylamino]benzenesulfonamide?
3-[[4-[(4-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 3-[[4-[(4-fluorophenyl)methoxy]phenyl]methylamino]benzenesulfonamide is sourced from PubChem (CID 155529966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).