N-(3-aminophenyl)-N-[(4-fluorophenyl)methyl]methanesulfonamide

C14H15FN2O2S — CID 39403342

IUPACN-(3-aminophenyl)-N-[(4-fluorophenyl)methyl]methanesulfonamide
SMILESCS(=O)(=O)N(Cc1ccc(F)cc1)c1cccc(N)c1
InChIInChI=1S/C14H15FN2O2S/c1-20(18,19)17(14-4-2-3-13(16)9-14)10-11-5-7-12(15)8-6-11/h2-9H,10,16H2,1H3
InChIKeyLSFOEEZRLUAFKH-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.37
Rot. Bonds4

About N-(3-aminophenyl)-N-[(4-fluorophenyl)methyl]methanesulfonamide

N-(3-aminophenyl)-N-[(4-fluorophenyl)methyl]methanesulfonamide (PubChem CID 39403342) has the molecular formula C14H15FN2O2S and a molecular weight of 294.35 g/mol. Its IUPAC name is N-(3-aminophenyl)-N-[(4-fluorophenyl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-N-[(4-fluorophenyl)methyl]methanesulfonamide
PubChem CID39403342
Molecular FormulaC14H15FN2O2S
Molecular Weight294.35 g/mol
Exact Mass294.08
IUPAC NameN-(3-aminophenyl)-N-[(4-fluorophenyl)methyl]methanesulfonamide
SMILESCS(=O)(=O)N(Cc1ccc(F)cc1)c1cccc(N)c1
InChIInChI=1S/C14H15FN2O2S/c1-20(18,19)17(14-4-2-3-13(16)9-14)10-11-5-7-12(15)8-6-11/h2-9H,10,16H2,1H3
InChIKeyLSFOEEZRLUAFKH-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'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-N-[(4-fluorophenyl)methyl]methanesulfonamide?
The IUPAC name of N-(3-aminophenyl)-N-[(4-fluorophenyl)methyl]methanesulfonamide (CID 39403342) is N-(3-aminophenyl)-N-[(4-fluorophenyl)methyl]methanesulfonamide.
What is the SMILES notation for N-(3-aminophenyl)-N-[(4-fluorophenyl)methyl]methanesulfonamide?
The canonical SMILES for N-(3-aminophenyl)-N-[(4-fluorophenyl)methyl]methanesulfonamide is CS(=O)(=O)N(Cc1ccc(F)cc1)c1cccc(N)c1.
What is the InChIKey of N-(3-aminophenyl)-N-[(4-fluorophenyl)methyl]methanesulfonamide?
The InChIKey is LSFOEEZRLUAFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2S/c1-20(18,19)17(14-4-2-3-13(16)9-14)10-11-5-7-12(15)8-6-11/h2-9H,10,16H2,1H3.
What are the key properties of N-(3-aminophenyl)-N-[(4-fluorophenyl)methyl]methanesulfonamide?
N-(3-aminophenyl)-N-[(4-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-[(4-fluorophenyl)methyl]methanesulfonamide is sourced from PubChem (CID 39403342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).