N-[4-[(4-fluorophenyl)methylamino]phenyl]-2-phenylethanesulfonamide

C21H21FN2O2S — CID 112982516

IUPACN-[4-[(4-fluorophenyl)methylamino]phenyl]-2-phenylethanesulfonamide
SMILESO=S(=O)(CCc1ccccc1)Nc1ccc(NCc2ccc(F)cc2)cc1
InChIInChI=1S/C21H21FN2O2S/c22-19-8-6-18(7-9-19)16-23-20-10-12-21(13-11-20)24-27(25,26)15-14-17-4-2-1-3-5-17/h1-13,23-24H,14-16H2
InChIKeyLWJMPZUDGWAXOT-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.42
Rot. Bonds8

About N-[4-[(4-fluorophenyl)methylamino]phenyl]-2-phenylethanesulfonamide

N-[4-[(4-fluorophenyl)methylamino]phenyl]-2-phenylethanesulfonamide (PubChem CID 112982516) has the molecular formula C21H21FN2O2S and a molecular weight of 384.48 g/mol. Its IUPAC name is N-[4-[(4-fluorophenyl)methylamino]phenyl]-2-phenylethanesulfonamide.

Molecular Properties

Compound NameN-[4-[(4-fluorophenyl)methylamino]phenyl]-2-phenylethanesulfonamide
PubChem CID112982516
Molecular FormulaC21H21FN2O2S
Molecular Weight384.48 g/mol
Exact Mass384.13
IUPAC NameN-[4-[(4-fluorophenyl)methylamino]phenyl]-2-phenylethanesulfonamide
SMILESO=S(=O)(CCc1ccccc1)Nc1ccc(NCc2ccc(F)cc2)cc1
InChIInChI=1S/C21H21FN2O2S/c22-19-8-6-18(7-9-19)16-23-20-10-12-21(13-11-20)24-27(25,26)15-14-17-4-2-1-3-5-17/h1-13,23-24H,14-16H2
InChIKeyLWJMPZUDGWAXOT-UHFFFAOYSA-N
XLogP4.42
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(4-fluorophenyl)methylamino]phenyl]ethanesulfonamide
CID 60932275
N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]-2-phenylethanesulfonamide
CID 113011837
4-fluoro-N-[(4-fluorophenyl)methyl]aniline
CID 1133337
N-[4-(3-phenylpropylamino)phenyl]propane-1-sulfonamide
CID 112984765
N-(6-amino-3-pyridinyl)-2-phenylethanesulfonamide
CID 60792395
N-[4-(4-chloroanilino)phenyl]-2-phenylethanesulfonamide
CID 112987053
N-[4-(oxiran-2-yl)phenyl]-2-phenylethanesulfonamide
CID 19898930
1-[4-[(4-fluorophenyl)methylamino]phenyl]-N-methylmethanesulfonamide
CID 110170599
N-benzyl-2-[4-[(4-fluorophenyl)methylamino]phenyl]acetamide
CID 46045383
2-[4-(benzylamino)phenyl]-N-[(4-fluorophenyl)methyl]acetamide
CID 42852618
2-[(4-fluorophenyl)methylsulfonylamino]-N-phenylethanesulfonamide
CID 110601354
N-[4-(butylamino)phenyl]-3-phenylpropane-1-sulfonamide
CID 112980309

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-fluorophenyl)methylamino]phenyl]-2-phenylethanesulfonamide?
The IUPAC name of N-[4-[(4-fluorophenyl)methylamino]phenyl]-2-phenylethanesulfonamide (CID 112982516) is N-[4-[(4-fluorophenyl)methylamino]phenyl]-2-phenylethanesulfonamide.
What is the SMILES notation for N-[4-[(4-fluorophenyl)methylamino]phenyl]-2-phenylethanesulfonamide?
The canonical SMILES for N-[4-[(4-fluorophenyl)methylamino]phenyl]-2-phenylethanesulfonamide is O=S(=O)(CCc1ccccc1)Nc1ccc(NCc2ccc(F)cc2)cc1.
What is the InChIKey of N-[4-[(4-fluorophenyl)methylamino]phenyl]-2-phenylethanesulfonamide?
The InChIKey is LWJMPZUDGWAXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O2S/c22-19-8-6-18(7-9-19)16-23-20-10-12-21(13-11-20)24-27(25,26)15-14-17-4-2-1-3-5-17/h1-13,23-24H,14-16H2.
What are the key properties of N-[4-[(4-fluorophenyl)methylamino]phenyl]-2-phenylethanesulfonamide?
N-[4-[(4-fluorophenyl)methylamino]phenyl]-2-phenylethanesulfonamide has a molecular weight of 384.48 g/mol, XLogP of 4.42, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-fluorophenyl)methylamino]phenyl]-2-phenylethanesulfonamide is sourced from PubChem (CID 112982516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).