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

C14H15FN2O2S — CID 100618000

IUPACN-[(4-aminophenyl)methyl]-N-(4-fluorophenyl)methanesulfonamide
SMILESCS(=O)(=O)N(Cc1ccc(N)cc1)c1ccc(F)cc1
InChIInChI=1S/C14H15FN2O2S/c1-20(18,19)17(14-8-4-12(15)5-9-14)10-11-2-6-13(16)7-3-11/h2-9H,10,16H2,1H3
InChIKeyKWWFCGDZRCOOBG-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.37
Rot. Bonds4

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

N-[(4-aminophenyl)methyl]-N-(4-fluorophenyl)methanesulfonamide (PubChem CID 100618000) has the molecular formula C14H15FN2O2S and a molecular weight of 294.35 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-N-(4-fluorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-N-(4-fluorophenyl)methanesulfonamide
PubChem CID100618000
Molecular FormulaC14H15FN2O2S
Molecular Weight294.35 g/mol
Exact Mass294.08
IUPAC NameN-[(4-aminophenyl)methyl]-N-(4-fluorophenyl)methanesulfonamide
SMILESCS(=O)(=O)N(Cc1ccc(N)cc1)c1ccc(F)cc1
InChIInChI=1S/C14H15FN2O2S/c1-20(18,19)17(14-8-4-12(15)5-9-14)10-11-2-6-13(16)7-3-11/h2-9H,10,16H2,1H3
InChIKeyKWWFCGDZRCOOBG-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': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[(4-fluorophenyl)methyl-methylsulfonylamino]-N,N-dimethylbenzamide
CID 41454674
N-tert-butyl-4-[(4-fluorophenyl)methyl-methylsulfonylamino]benzamide
CID 53282591
N-(2,4-dimethylpentan-3-yl)-4-[(4-fluorophenyl)methyl-methylsulfonylamino]benzamide
CID 53282646
1-(4-aminophenyl)-N-[(4-fluorophenyl)methyl]-N-methylmethanesulfonamide
CID 43576201
4-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-pentylbenzamide
CID 19062205
4-[3-[(4-fluorophenyl)methyl-methylamino]propyl]aniline
CID 115341840
2-[4-[(4-fluorophenyl)methyl-methylsulfonylamino]phenoxy]-N-propan-2-ylacetamide
CID 30130081
N-(4-aminophenyl)-4-fluoro-N-propylbenzenesulfonamide
CID 63233678
N-benzyl-N-phenylmethanesulfonamide;ethane
CID 142134956
4-[[ethyl-[(4-fluorophenyl)methyl]amino]methyl]aniline
CID 43458819
N-[1-(4-ethylphenyl)ethyl]-4-[(4-fluorophenyl)methyl-methylsulfonylamino]benzamide
CID 133261991
N-[(4-aminophenyl)methyl]-2-(4-fluorophenyl)-N-methylacetamide
CID 43458116

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-N-(4-fluorophenyl)methanesulfonamide?
The IUPAC name of N-[(4-aminophenyl)methyl]-N-(4-fluorophenyl)methanesulfonamide (CID 100618000) is N-[(4-aminophenyl)methyl]-N-(4-fluorophenyl)methanesulfonamide.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-N-(4-fluorophenyl)methanesulfonamide?
The canonical SMILES for N-[(4-aminophenyl)methyl]-N-(4-fluorophenyl)methanesulfonamide is CS(=O)(=O)N(Cc1ccc(N)cc1)c1ccc(F)cc1.
What is the InChIKey of N-[(4-aminophenyl)methyl]-N-(4-fluorophenyl)methanesulfonamide?
The InChIKey is KWWFCGDZRCOOBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2S/c1-20(18,19)17(14-8-4-12(15)5-9-14)10-11-2-6-13(16)7-3-11/h2-9H,10,16H2,1H3.
What are the key properties of N-[(4-aminophenyl)methyl]-N-(4-fluorophenyl)methanesulfonamide?
N-[(4-aminophenyl)methyl]-N-(4-fluorophenyl)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-[(4-aminophenyl)methyl]-N-(4-fluorophenyl)methanesulfonamide is sourced from PubChem (CID 100618000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).