N-[4-(difluoromethylsulfonyl)phenyl]-1-phenylmethanimine

C14H11F2NO2S — CID 71392429

IUPACN-[4-(difluoromethylsulfonyl)phenyl]-1-phenylmethanimine
SMILESO=S(=O)(c1ccc(/N=C/c2ccccc2)cc1)C(F)F
InChIInChI=1S/C14H11F2NO2S/c15-14(16)20(18,19)13-8-6-12(7-9-13)17-10-11-4-2-1-3-5-11/h1-10,14H/b17-10+
InChIKeyAOFZKRLWKQMRNG-LICLKQGHSA-N
MW295.31 g/mol
LogP3.43
Rot. Bonds4

About N-[4-(difluoromethylsulfonyl)phenyl]-1-phenylmethanimine

N-[4-(difluoromethylsulfonyl)phenyl]-1-phenylmethanimine (PubChem CID 71392429) has the molecular formula C14H11F2NO2S and a molecular weight of 295.31 g/mol. Its IUPAC name is N-[4-(difluoromethylsulfonyl)phenyl]-1-phenylmethanimine.

Molecular Properties

Compound NameN-[4-(difluoromethylsulfonyl)phenyl]-1-phenylmethanimine
PubChem CID71392429
Molecular FormulaC14H11F2NO2S
Molecular Weight295.31 g/mol
Exact Mass295.05
IUPAC NameN-[4-(difluoromethylsulfonyl)phenyl]-1-phenylmethanimine
SMILESO=S(=O)(c1ccc(/N=C/c2ccccc2)cc1)C(F)F
InChIInChI=1S/C14H11F2NO2S/c15-14(16)20(18,19)13-8-6-12(7-9-13)17-10-11-4-2-1-3-5-11/h1-10,14H/b17-10+
InChIKeyAOFZKRLWKQMRNG-LICLKQGHSA-N
XLogP3.43
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-phenyl-N-[4-(4-phenylphenyl)phenyl]methanimine
CID 101426517
N,1-diphenylmethanimine
CID 10858
N-(4-morpholin-4-ylsulfonylphenyl)-1-phenylmethanimine
CID 968608
4-[[4-(N-phenylanilino)phenyl]methylideneamino]benzenesulfonamide
CID 25041425
N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-1-phenylmethanimine
CID 4512362
N-[4-[4-(benzylideneamino)phenyl]sulfanylphenyl]-1-phenylmethanimine
CID 633778
4-(benzylideneamino)-N-(6-chloropyridazin-3-yl)benzenesulfonamide
CID 564221
N'-[4-(benzylideneamino)phenyl]-N,N-dimethylmethanimidamide
CID 20517414
4-(difluoromethylsulfonyl)aniline
CID 825467
1-bromo-4-(difluoromethylsulfonyl)benzene
CID 19959949
[(E)-3-phenylprop-2-enyl] 4-(difluoromethylsulfonyl)benzoate
CID 7680002
N-[4-[4-[4-(benzylideneamino)phenoxy]-2,3,5,6-tetrafluorophenoxy]phenyl]-1-phenylmethanimine
CID 21205042

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethylsulfonyl)phenyl]-1-phenylmethanimine?
The IUPAC name of N-[4-(difluoromethylsulfonyl)phenyl]-1-phenylmethanimine (CID 71392429) is N-[4-(difluoromethylsulfonyl)phenyl]-1-phenylmethanimine.
What is the SMILES notation for N-[4-(difluoromethylsulfonyl)phenyl]-1-phenylmethanimine?
The canonical SMILES for N-[4-(difluoromethylsulfonyl)phenyl]-1-phenylmethanimine is O=S(=O)(c1ccc(/N=C/c2ccccc2)cc1)C(F)F.
What is the InChIKey of N-[4-(difluoromethylsulfonyl)phenyl]-1-phenylmethanimine?
The InChIKey is AOFZKRLWKQMRNG-LICLKQGHSA-N. The full InChI is InChI=1S/C14H11F2NO2S/c15-14(16)20(18,19)13-8-6-12(7-9-13)17-10-11-4-2-1-3-5-11/h1-10,14H/b17-10+.
What are the key properties of N-[4-(difluoromethylsulfonyl)phenyl]-1-phenylmethanimine?
N-[4-(difluoromethylsulfonyl)phenyl]-1-phenylmethanimine has a molecular weight of 295.31 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethylsulfonyl)phenyl]-1-phenylmethanimine is sourced from PubChem (CID 71392429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).