N-(3-aminophenyl)-N-[(2-fluorophenyl)methyl]methanesulfonamide

C14H15FN2O2S — CID 39403340

IUPACN-(3-aminophenyl)-N-[(2-fluorophenyl)methyl]methanesulfonamide
SMILESCS(=O)(=O)N(Cc1ccccc1F)c1cccc(N)c1
InChIInChI=1S/C14H15FN2O2S/c1-20(18,19)17(13-7-4-6-12(16)9-13)10-11-5-2-3-8-14(11)15/h2-9H,10,16H2,1H3
InChIKeyBTHFEFKKHPHGHH-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.37
Rot. Bonds4

About N-(3-aminophenyl)-N-[(2-fluorophenyl)methyl]methanesulfonamide

N-(3-aminophenyl)-N-[(2-fluorophenyl)methyl]methanesulfonamide (PubChem CID 39403340) has the molecular formula C14H15FN2O2S and a molecular weight of 294.35 g/mol. Its IUPAC name is N-(3-aminophenyl)-N-[(2-fluorophenyl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-N-[(2-fluorophenyl)methyl]methanesulfonamide
PubChem CID39403340
Molecular FormulaC14H15FN2O2S
Molecular Weight294.35 g/mol
Exact Mass294.08
IUPAC NameN-(3-aminophenyl)-N-[(2-fluorophenyl)methyl]methanesulfonamide
SMILESCS(=O)(=O)N(Cc1ccccc1F)c1cccc(N)c1
InChIInChI=1S/C14H15FN2O2S/c1-20(18,19)17(13-7-4-6-12(16)9-13)10-11-5-2-3-8-14(11)15/h2-9H,10,16H2,1H3
InChIKeyBTHFEFKKHPHGHH-UHFFFAOYSA-N
XLogP2.37
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-aminophenyl)-N-[(2-fluorophenyl)methyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-N-[(2-fluorophenyl)methyl]methanesulfonamide?
The IUPAC name of N-(3-aminophenyl)-N-[(2-fluorophenyl)methyl]methanesulfonamide (CID 39403340) is N-(3-aminophenyl)-N-[(2-fluorophenyl)methyl]methanesulfonamide.
What is the SMILES notation for N-(3-aminophenyl)-N-[(2-fluorophenyl)methyl]methanesulfonamide?
The canonical SMILES for N-(3-aminophenyl)-N-[(2-fluorophenyl)methyl]methanesulfonamide is CS(=O)(=O)N(Cc1ccccc1F)c1cccc(N)c1.
What is the InChIKey of N-(3-aminophenyl)-N-[(2-fluorophenyl)methyl]methanesulfonamide?
The InChIKey is BTHFEFKKHPHGHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2S/c1-20(18,19)17(13-7-4-6-12(16)9-13)10-11-5-2-3-8-14(11)15/h2-9H,10,16H2,1H3.
What are the key properties of N-(3-aminophenyl)-N-[(2-fluorophenyl)methyl]methanesulfonamide?
N-(3-aminophenyl)-N-[(2-fluorophenyl)methyl]methanesulfonamide has a molecular weight of 294.35 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-N-[(2-fluorophenyl)methyl]methanesulfonamide is sourced from PubChem (CID 39403340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).