1-[4-[(2-fluorophenyl)methylamino]phenyl]-N-prop-2-enylmethanesulfonamide

C17H19FN2O2S — CID 84591032

IUPAC1-[4-[(2-fluorophenyl)methylamino]phenyl]-N-prop-2-enylmethanesulfonamide
SMILESC=CCNS(=O)(=O)Cc1ccc(NCc2ccccc2F)cc1
InChIInChI=1S/C17H19FN2O2S/c1-2-11-20-23(21,22)13-14-7-9-16(10-8-14)19-12-15-5-3-4-6-17(15)18/h2-10,19-20H,1,11-13H2
InChIKeyVTQJWWNICUPRQW-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.04
Rot. Bonds8

About 1-[4-[(2-fluorophenyl)methylamino]phenyl]-N-prop-2-enylmethanesulfonamide

1-[4-[(2-fluorophenyl)methylamino]phenyl]-N-prop-2-enylmethanesulfonamide (PubChem CID 84591032) has the molecular formula C17H19FN2O2S and a molecular weight of 334.42 g/mol. Its IUPAC name is 1-[4-[(2-fluorophenyl)methylamino]phenyl]-N-prop-2-enylmethanesulfonamide.

Molecular Properties

Compound Name1-[4-[(2-fluorophenyl)methylamino]phenyl]-N-prop-2-enylmethanesulfonamide
PubChem CID84591032
Molecular FormulaC17H19FN2O2S
Molecular Weight334.42 g/mol
Exact Mass334.12
IUPAC Name1-[4-[(2-fluorophenyl)methylamino]phenyl]-N-prop-2-enylmethanesulfonamide
SMILESC=CCNS(=O)(=O)Cc1ccc(NCc2ccccc2F)cc1
InChIInChI=1S/C17H19FN2O2S/c1-2-11-20-23(21,22)13-14-7-9-16(10-8-14)19-12-15-5-3-4-6-17(15)18/h2-10,19-20H,1,11-13H2
InChIKeyVTQJWWNICUPRQW-UHFFFAOYSA-N
XLogP3.04
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(2-fluorophenyl)methylamino]-N-prop-2-enylbenzamide
CID 60931867
N-[(2-fluorophenyl)methyl]-1-phenylmethanesulfonamide
CID 7034179
1-(4-chlorophenyl)-N-prop-2-enylmethanesulfonamide
CID 18891250
2-[4-[(2-fluorophenyl)methylamino]phenyl]acetonitrile
CID 43231833
4-(prop-2-enylsulfamoylmethyl)benzoic acid
CID 43362558
1-[4-[(2-fluorophenyl)methylamino]phenyl]-3-methylurea
CID 43744437
methyl N-[4-[(2-fluorophenyl)methylamino]phenyl]carbamate
CID 43730341
2-(2-fluorophenyl)-N-[4-[(4-methylphenyl)methylamino]phenyl]acetamide
CID 112982178
5-[(2-fluorophenyl)methylamino]-N-prop-2-enylpyridine-3-carboxamide
CID 109223975
N-[(2-fluorophenyl)methyl]-4-propan-2-ylaniline
CID 28551331
[4-[(2-ethylphenyl)methylamino]phenyl]methanesulfonamide
CID 62391957
N-[(2-fluorophenyl)methyl]-4-piperidin-1-ylsulfonylaniline
CID 110826359

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-fluorophenyl)methylamino]phenyl]-N-prop-2-enylmethanesulfonamide?
The IUPAC name of 1-[4-[(2-fluorophenyl)methylamino]phenyl]-N-prop-2-enylmethanesulfonamide (CID 84591032) is 1-[4-[(2-fluorophenyl)methylamino]phenyl]-N-prop-2-enylmethanesulfonamide.
What is the SMILES notation for 1-[4-[(2-fluorophenyl)methylamino]phenyl]-N-prop-2-enylmethanesulfonamide?
The canonical SMILES for 1-[4-[(2-fluorophenyl)methylamino]phenyl]-N-prop-2-enylmethanesulfonamide is C=CCNS(=O)(=O)Cc1ccc(NCc2ccccc2F)cc1.
What is the InChIKey of 1-[4-[(2-fluorophenyl)methylamino]phenyl]-N-prop-2-enylmethanesulfonamide?
The InChIKey is VTQJWWNICUPRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2S/c1-2-11-20-23(21,22)13-14-7-9-16(10-8-14)19-12-15-5-3-4-6-17(15)18/h2-10,19-20H,1,11-13H2.
What are the key properties of 1-[4-[(2-fluorophenyl)methylamino]phenyl]-N-prop-2-enylmethanesulfonamide?
1-[4-[(2-fluorophenyl)methylamino]phenyl]-N-prop-2-enylmethanesulfonamide has a molecular weight of 334.42 g/mol, XLogP of 3.04, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-fluorophenyl)methylamino]phenyl]-N-prop-2-enylmethanesulfonamide is sourced from PubChem (CID 84591032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).