N-[[2-(diazenylmethyl)phenyl]methyl]-4-(trifluoromethyl)benzenesulfonamide

C15H14F3N3O2S — CID 91357753

IUPACN-[[2-(diazenylmethyl)phenyl]methyl]-4-(trifluoromethyl)benzenesulfonamide
SMILES[H]/N=N/Cc1ccccc1CNS(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H14F3N3O2S/c16-15(17,18)13-5-7-14(8-6-13)24(22,23)21-10-12-4-2-1-3-11(12)9-20-19/h1-8,19,21H,9-10H2/b20-19+
InChIKeyVFJYNDHXVZLRSG-FMQUCBEESA-N
MW357.36 g/mol
LogP3.71
Rot. Bonds6

About N-[[2-(diazenylmethyl)phenyl]methyl]-4-(trifluoromethyl)benzenesulfonamide

N-[[2-(diazenylmethyl)phenyl]methyl]-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 91357753) has the molecular formula C15H14F3N3O2S and a molecular weight of 357.36 g/mol. Its IUPAC name is N-[[2-(diazenylmethyl)phenyl]methyl]-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[[2-(diazenylmethyl)phenyl]methyl]-4-(trifluoromethyl)benzenesulfonamide
PubChem CID91357753
Molecular FormulaC15H14F3N3O2S
Molecular Weight357.36 g/mol
Exact Mass357.08
IUPAC NameN-[[2-(diazenylmethyl)phenyl]methyl]-4-(trifluoromethyl)benzenesulfonamide
SMILES[H]/N=N/Cc1ccccc1CNS(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H14F3N3O2S/c16-15(17,18)13-5-7-14(8-6-13)24(22,23)21-10-12-4-2-1-3-11(12)9-20-19/h1-8,19,21H,9-10H2/b20-19+
InChIKeyVFJYNDHXVZLRSG-FMQUCBEESA-N
XLogP3.71
TPSA82.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(diazenylmethyl)phenyl]methyl]-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[[2-(diazenylmethyl)phenyl]methyl]-4-(trifluoromethyl)benzenesulfonamide (CID 91357753) is N-[[2-(diazenylmethyl)phenyl]methyl]-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[[2-(diazenylmethyl)phenyl]methyl]-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[[2-(diazenylmethyl)phenyl]methyl]-4-(trifluoromethyl)benzenesulfonamide is [H]/N=N/Cc1ccccc1CNS(=O)(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[[2-(diazenylmethyl)phenyl]methyl]-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is VFJYNDHXVZLRSG-FMQUCBEESA-N. The full InChI is InChI=1S/C15H14F3N3O2S/c16-15(17,18)13-5-7-14(8-6-13)24(22,23)21-10-12-4-2-1-3-11(12)9-20-19/h1-8,19,21H,9-10H2/b20-19+.
What are the key properties of N-[[2-(diazenylmethyl)phenyl]methyl]-4-(trifluoromethyl)benzenesulfonamide?
N-[[2-(diazenylmethyl)phenyl]methyl]-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 357.36 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(diazenylmethyl)phenyl]methyl]-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 91357753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).