1-(2-aminophenyl)-N-[(4-fluorophenyl)methyl]methanesulfonamide

C14H15FN2O2S — CID 62020325

IUPAC1-(2-aminophenyl)-N-[(4-fluorophenyl)methyl]methanesulfonamide
SMILESNc1ccccc1CS(=O)(=O)NCc1ccc(F)cc1
InChIInChI=1S/C14H15FN2O2S/c15-13-7-5-11(6-8-13)9-17-20(18,19)10-12-3-1-2-4-14(12)16/h1-8,17H,9-10,16H2
InChIKeyJETMJWZFFNGNMD-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.03
Rot. Bonds5

About 1-(2-aminophenyl)-N-[(4-fluorophenyl)methyl]methanesulfonamide

1-(2-aminophenyl)-N-[(4-fluorophenyl)methyl]methanesulfonamide (PubChem CID 62020325) has the molecular formula C14H15FN2O2S and a molecular weight of 294.35 g/mol. Its IUPAC name is 1-(2-aminophenyl)-N-[(4-fluorophenyl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(2-aminophenyl)-N-[(4-fluorophenyl)methyl]methanesulfonamide
PubChem CID62020325
Molecular FormulaC14H15FN2O2S
Molecular Weight294.35 g/mol
Exact Mass294.08
IUPAC Name1-(2-aminophenyl)-N-[(4-fluorophenyl)methyl]methanesulfonamide
SMILESNc1ccccc1CS(=O)(=O)NCc1ccc(F)cc1
InChIInChI=1S/C14H15FN2O2S/c15-13-7-5-11(6-8-13)9-17-20(18,19)10-12-3-1-2-4-14(12)16/h1-8,17H,9-10,16H2
InChIKeyJETMJWZFFNGNMD-UHFFFAOYSA-N
XLogP2.03
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-aminophenyl)-N-(pyridin-4-ylmethyl)methanesulfonamide
CID 62022430
N-[(4-fluorophenyl)methyl]-1-(2-methylphenyl)methanesulfonamide
CID 38005786
1-(2-aminophenyl)-N-ethylmethanesulfonamide
CID 62021443
1-(2-aminophenyl)-N-[(3-methoxyphenyl)methyl]methanesulfonamide
CID 62020158
N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)methanesulfonamide
CID 30400180
2-[(2-aminophenyl)methylsulfonylamino]acetamide
CID 62021826
1-(2-aminophenyl)-N-(1,2-oxazol-3-ylmethyl)methanesulfonamide
CID 81169954
1-(2-aminophenyl)-N-[(5-ethylthiophen-2-yl)methyl]methanesulfonamide
CID 106006785
N-[(2-aminophenyl)methyl]-1-methylsulfonylmethanesulfonamide
CID 82840479
1-(2-aminophenyl)-N-[(1-methylpyrazol-3-yl)methyl]methanesulfonamide
CID 82882627
3-[(2-aminophenyl)methylsulfonylamino]propane-1-sulfonamide
CID 62020736
1-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]methanesulfonamide
CID 46771997

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminophenyl)-N-[(4-fluorophenyl)methyl]methanesulfonamide?
The IUPAC name of 1-(2-aminophenyl)-N-[(4-fluorophenyl)methyl]methanesulfonamide (CID 62020325) is 1-(2-aminophenyl)-N-[(4-fluorophenyl)methyl]methanesulfonamide.
What is the SMILES notation for 1-(2-aminophenyl)-N-[(4-fluorophenyl)methyl]methanesulfonamide?
The canonical SMILES for 1-(2-aminophenyl)-N-[(4-fluorophenyl)methyl]methanesulfonamide is Nc1ccccc1CS(=O)(=O)NCc1ccc(F)cc1.
What is the InChIKey of 1-(2-aminophenyl)-N-[(4-fluorophenyl)methyl]methanesulfonamide?
The InChIKey is JETMJWZFFNGNMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2S/c15-13-7-5-11(6-8-13)9-17-20(18,19)10-12-3-1-2-4-14(12)16/h1-8,17H,9-10,16H2.
What are the key properties of 1-(2-aminophenyl)-N-[(4-fluorophenyl)methyl]methanesulfonamide?
1-(2-aminophenyl)-N-[(4-fluorophenyl)methyl]methanesulfonamide has a molecular weight of 294.35 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminophenyl)-N-[(4-fluorophenyl)methyl]methanesulfonamide is sourced from PubChem (CID 62020325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).