1-(4-aminophenyl)-N-[(4-fluorophenyl)methyl]-N-methylmethanesulfonamide

C15H17FN2O2S — CID 43576201

IUPAC1-(4-aminophenyl)-N-[(4-fluorophenyl)methyl]-N-methylmethanesulfonamide
SMILESCN(Cc1ccc(F)cc1)S(=O)(=O)Cc1ccc(N)cc1
InChIInChI=1S/C15H17FN2O2S/c1-18(10-12-2-6-14(16)7-3-12)21(19,20)11-13-4-8-15(17)9-5-13/h2-9H,10-11,17H2,1H3
InChIKeyNGCNZFSDDNCMQF-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.37
Rot. Bonds5

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

1-(4-aminophenyl)-N-[(4-fluorophenyl)methyl]-N-methylmethanesulfonamide (PubChem CID 43576201) has the molecular formula C15H17FN2O2S and a molecular weight of 308.38 g/mol. Its IUPAC name is 1-(4-aminophenyl)-N-[(4-fluorophenyl)methyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound Name1-(4-aminophenyl)-N-[(4-fluorophenyl)methyl]-N-methylmethanesulfonamide
PubChem CID43576201
Molecular FormulaC15H17FN2O2S
Molecular Weight308.38 g/mol
Exact Mass308.10
IUPAC Name1-(4-aminophenyl)-N-[(4-fluorophenyl)methyl]-N-methylmethanesulfonamide
SMILESCN(Cc1ccc(F)cc1)S(=O)(=O)Cc1ccc(N)cc1
InChIInChI=1S/C15H17FN2O2S/c1-18(10-12-2-6-14(16)7-3-12)21(19,20)11-13-4-8-15(17)9-5-13/h2-9H,10-11,17H2,1H3
InChIKeyNGCNZFSDDNCMQF-UHFFFAOYSA-N
XLogP2.37
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
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

1-(4-aminophenyl)-N-[(2-chlorophenyl)methyl]-N-methylmethanesulfonamide
CID 61105924
N-[(4-aminophenyl)methyl]-N-(4-fluorophenyl)methanesulfonamide
CID 100618000
4-[3-[(4-fluorophenyl)methyl-methylamino]propyl]aniline
CID 115341840
1-(3-aminophenyl)-N-benzyl-N-methylmethanesulfonamide
CID 43256235
N-[(4-fluorophenyl)methyl]-N-methylpropane-2-sulfonamide
CID 61362465
1-(4-fluorophenyl)-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanesulfonamide
CID 46972220
1-(4-aminophenyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]methanesulfonamide
CID 63877718
4-[[ethyl-[(4-fluorophenyl)methyl]amino]methyl]aniline
CID 43458819
2-amino-5-chloro-N-[(4-fluorophenyl)methyl]-N-methylbenzenesulfonamide
CID 60986465
N-[[4-(aminomethyl)phenyl]methyl]-4-fluoro-N-methylbenzenesulfonamide
CID 60923004
N-[(4-aminophenyl)methyl]-4-fluoro-N-methylbenzamide
CID 43458159
N-[(4-aminophenyl)methyl]-2-(4-fluorophenyl)-N-methylacetamide
CID 43458116

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-N-[(4-fluorophenyl)methyl]-N-methylmethanesulfonamide?
The IUPAC name of 1-(4-aminophenyl)-N-[(4-fluorophenyl)methyl]-N-methylmethanesulfonamide (CID 43576201) is 1-(4-aminophenyl)-N-[(4-fluorophenyl)methyl]-N-methylmethanesulfonamide.
What is the SMILES notation for 1-(4-aminophenyl)-N-[(4-fluorophenyl)methyl]-N-methylmethanesulfonamide?
The canonical SMILES for 1-(4-aminophenyl)-N-[(4-fluorophenyl)methyl]-N-methylmethanesulfonamide is CN(Cc1ccc(F)cc1)S(=O)(=O)Cc1ccc(N)cc1.
What is the InChIKey of 1-(4-aminophenyl)-N-[(4-fluorophenyl)methyl]-N-methylmethanesulfonamide?
The InChIKey is NGCNZFSDDNCMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2S/c1-18(10-12-2-6-14(16)7-3-12)21(19,20)11-13-4-8-15(17)9-5-13/h2-9H,10-11,17H2,1H3.
What are the key properties of 1-(4-aminophenyl)-N-[(4-fluorophenyl)methyl]-N-methylmethanesulfonamide?
1-(4-aminophenyl)-N-[(4-fluorophenyl)methyl]-N-methylmethanesulfonamide has a molecular weight of 308.38 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-N-[(4-fluorophenyl)methyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 43576201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).