N-[(4-aminophenyl)methyl]-N-ethyl-1,1-difluoromethanesulfonamide

C10H14F2N2O2S — CID 43458785

IUPACN-[(4-aminophenyl)methyl]-N-ethyl-1,1-difluoromethanesulfonamide
SMILESCCN(Cc1ccc(N)cc1)S(=O)(=O)C(F)F
InChIInChI=1S/C10H14F2N2O2S/c1-2-14(17(15,16)10(11)12)7-8-3-5-9(13)6-4-8/h3-6,10H,2,7,13H2,1H3
InChIKeyUVPMMMJRPDQFFM-UHFFFAOYSA-N
MW264.30 g/mol
LogP1.64
Rot. Bonds5

About N-[(4-aminophenyl)methyl]-N-ethyl-1,1-difluoromethanesulfonamide

N-[(4-aminophenyl)methyl]-N-ethyl-1,1-difluoromethanesulfonamide (PubChem CID 43458785) has the molecular formula C10H14F2N2O2S and a molecular weight of 264.30 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-N-ethyl-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-N-ethyl-1,1-difluoromethanesulfonamide
PubChem CID43458785
Molecular FormulaC10H14F2N2O2S
Molecular Weight264.30 g/mol
Exact Mass264.07
IUPAC NameN-[(4-aminophenyl)methyl]-N-ethyl-1,1-difluoromethanesulfonamide
SMILESCCN(Cc1ccc(N)cc1)S(=O)(=O)C(F)F
InChIInChI=1S/C10H14F2N2O2S/c1-2-14(17(15,16)10(11)12)7-8-3-5-9(13)6-4-8/h3-6,10H,2,7,13H2,1H3
InChIKeyUVPMMMJRPDQFFM-UHFFFAOYSA-N
XLogP1.64
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 51.64
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

N-[(4-aminophenyl)methyl]-1,1-difluoro-N-propan-2-ylmethanesulfonamide
CID 43384019
N-[(4-aminophenyl)methyl]-N-ethylpropane-1-sulfonamide
CID 43458794
N-[(4-aminophenyl)methyl]-N-ethyl-2-methylsulfonylethanesulfonamide
CID 63245077
1-amino-4-[[ethyl(2-methylpropylsulfamoyl)amino]methyl]benzene
CID 114814046
N-[(3-aminophenyl)methyl]-1,1-difluoro-N-propylmethanesulfonamide
CID 43383975
N-[(4-aminophenyl)methyl]-1-cyclopropyl-N-ethylmethanesulfonamide
CID 64988006
N-[(4-aminophenyl)methyl]-N-ethyl-3,3-dimethylbutane-1-sulfonamide
CID 103520822
1-amino-4-[[propyl(sulfamoyl)amino]methyl]benzene
CID 114958655
N-[(4-aminophenyl)methyl]-N-propan-2-ylethanesulfonamide
CID 43460051
4-amino-N-ethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 61138237
N-[(4-aminophenyl)methyl]-2,5-dichloro-N-ethylthiophene-3-sulfonamide
CID 43458765
methyl 2-[(4-aminophenyl)methyl-propylsulfamoyl]propanoate
CID 61458868

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-N-ethyl-1,1-difluoromethanesulfonamide?
The IUPAC name of N-[(4-aminophenyl)methyl]-N-ethyl-1,1-difluoromethanesulfonamide (CID 43458785) is N-[(4-aminophenyl)methyl]-N-ethyl-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-N-ethyl-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-[(4-aminophenyl)methyl]-N-ethyl-1,1-difluoromethanesulfonamide is CCN(Cc1ccc(N)cc1)S(=O)(=O)C(F)F.
What is the InChIKey of N-[(4-aminophenyl)methyl]-N-ethyl-1,1-difluoromethanesulfonamide?
The InChIKey is UVPMMMJRPDQFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2O2S/c1-2-14(17(15,16)10(11)12)7-8-3-5-9(13)6-4-8/h3-6,10H,2,7,13H2,1H3.
What are the key properties of N-[(4-aminophenyl)methyl]-N-ethyl-1,1-difluoromethanesulfonamide?
N-[(4-aminophenyl)methyl]-N-ethyl-1,1-difluoromethanesulfonamide has a molecular weight of 264.30 g/mol, XLogP of 1.64, 5 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-ethyl-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 43458785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).