2-(4-phenyldiazenylanilino)ethanesulfonyl fluoride

C14H14FN3O2S — CID 3111898

IUPAC2-(4-phenyldiazenylanilino)ethanesulfonyl fluoride
SMILESO=S(=O)(F)CCNc1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C14H14FN3O2S/c15-21(19,20)11-10-16-12-6-8-14(9-7-12)18-17-13-4-2-1-3-5-13/h1-9,16H,10-11H2/b18-17+
InChIKeyZCOSYTPMOHUPJC-ISLYRVAYSA-N
MW307.35 g/mol
LogP3.81
Rot. Bonds6

About 2-(4-phenyldiazenylanilino)ethanesulfonyl fluoride

2-(4-phenyldiazenylanilino)ethanesulfonyl fluoride (PubChem CID 3111898) has the molecular formula C14H14FN3O2S and a molecular weight of 307.35 g/mol. Its IUPAC name is 2-(4-phenyldiazenylanilino)ethanesulfonyl fluoride.

Molecular Properties

Compound Name2-(4-phenyldiazenylanilino)ethanesulfonyl fluoride
PubChem CID3111898
Molecular FormulaC14H14FN3O2S
Molecular Weight307.35 g/mol
Exact Mass307.08
IUPAC Name2-(4-phenyldiazenylanilino)ethanesulfonyl fluoride
SMILESO=S(=O)(F)CCNc1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C14H14FN3O2S/c15-21(19,20)11-10-16-12-6-8-14(9-7-12)18-17-13-4-2-1-3-5-13/h1-9,16H,10-11H2/b18-17+
InChIKeyZCOSYTPMOHUPJC-ISLYRVAYSA-N
XLogP3.81
TPSA70.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 2-(4-phenyldiazenylanilino)ethanesulfonyl fluoride?
The IUPAC name of 2-(4-phenyldiazenylanilino)ethanesulfonyl fluoride (CID 3111898) is 2-(4-phenyldiazenylanilino)ethanesulfonyl fluoride.
What is the SMILES notation for 2-(4-phenyldiazenylanilino)ethanesulfonyl fluoride?
The canonical SMILES for 2-(4-phenyldiazenylanilino)ethanesulfonyl fluoride is O=S(=O)(F)CCNc1ccc(/N=N/c2ccccc2)cc1.
What is the InChIKey of 2-(4-phenyldiazenylanilino)ethanesulfonyl fluoride?
The InChIKey is ZCOSYTPMOHUPJC-ISLYRVAYSA-N. The full InChI is InChI=1S/C14H14FN3O2S/c15-21(19,20)11-10-16-12-6-8-14(9-7-12)18-17-13-4-2-1-3-5-13/h1-9,16H,10-11H2/b18-17+.
What are the key properties of 2-(4-phenyldiazenylanilino)ethanesulfonyl fluoride?
2-(4-phenyldiazenylanilino)ethanesulfonyl fluoride has a molecular weight of 307.35 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenyldiazenylanilino)ethanesulfonyl fluoride is sourced from PubChem (CID 3111898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).