4-phenyldiazenyl-N-(2-sulfanylethyl)benzenesulfonamide

C14H15N3O2S2 — CID 101031707

IUPAC4-phenyldiazenyl-N-(2-sulfanylethyl)benzenesulfonamide
SMILESO=S(=O)(NCCS)c1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C14H15N3O2S2/c18-21(19,15-10-11-20)14-8-6-13(7-9-14)17-16-12-4-2-1-3-5-12/h1-9,15,20H,10-11H2/b17-16+
InChIKeyJTLUNSGXVBDLEY-WUKNDPDISA-N
MW321.43 g/mol
LogP3.31
Rot. Bonds6

About 4-phenyldiazenyl-N-(2-sulfanylethyl)benzenesulfonamide

4-phenyldiazenyl-N-(2-sulfanylethyl)benzenesulfonamide (PubChem CID 101031707) has the molecular formula C14H15N3O2S2 and a molecular weight of 321.43 g/mol. Its IUPAC name is 4-phenyldiazenyl-N-(2-sulfanylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-phenyldiazenyl-N-(2-sulfanylethyl)benzenesulfonamide
PubChem CID101031707
Molecular FormulaC14H15N3O2S2
Molecular Weight321.43 g/mol
Exact Mass321.06
IUPAC Name4-phenyldiazenyl-N-(2-sulfanylethyl)benzenesulfonamide
SMILESO=S(=O)(NCCS)c1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C14H15N3O2S2/c18-21(19,15-10-11-20)14-8-6-13(7-9-14)17-16-12-4-2-1-3-5-12/h1-9,15,20H,10-11H2/b17-16+
InChIKeyJTLUNSGXVBDLEY-WUKNDPDISA-N
XLogP3.31
TPSA70.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-[2-[2-(benzenesulfonamido)ethylamino]ethyl]benzenesulfonamide
CID 58729757
N-[2-(benzenesulfonamido)ethyl]-4-methylsulfonylbenzenesulfonamide
CID 166199176
4-chloro-N-(4-phenyldiazenylphenyl)benzenesulfonamide
CID 4289928
N-(2-iodoethyl)benzenesulfonamide
CID 68718657
N-(2-chloroethyl)-4-phenylbenzenesulfonamide
CID 162435603
4-butan-2-yl-N-(4-phenyldiazenylphenyl)benzenesulfonamide
CID 22774845
N-(2-methylsulfonylethyl)benzenesulfonamide
CID 63090699
2-chloro-N'-[4-(2-phenylethylsulfamoyl)phenyl]ethanimidamide
CID 169367359
4-[[4-(dimethylamino)phenyl]diazenyl]-N-(2-methylsulfonylsulfanylethyl)benzenesulfonamide
CID 3266790
N-(4-iodobutyl)benzenesulfonamide
CID 106846581
N-(4-bromobutyl)benzenesulfonamide
CID 106846700
N-[2-(ethylamino)ethyl]-4-phenylbenzenesulfonamide
CID 119973884

Frequently Asked Questions

What is the IUPAC name of 4-phenyldiazenyl-N-(2-sulfanylethyl)benzenesulfonamide?
The IUPAC name of 4-phenyldiazenyl-N-(2-sulfanylethyl)benzenesulfonamide (CID 101031707) is 4-phenyldiazenyl-N-(2-sulfanylethyl)benzenesulfonamide.
What is the SMILES notation for 4-phenyldiazenyl-N-(2-sulfanylethyl)benzenesulfonamide?
The canonical SMILES for 4-phenyldiazenyl-N-(2-sulfanylethyl)benzenesulfonamide is O=S(=O)(NCCS)c1ccc(/N=N/c2ccccc2)cc1.
What is the InChIKey of 4-phenyldiazenyl-N-(2-sulfanylethyl)benzenesulfonamide?
The InChIKey is JTLUNSGXVBDLEY-WUKNDPDISA-N. The full InChI is InChI=1S/C14H15N3O2S2/c18-21(19,15-10-11-20)14-8-6-13(7-9-14)17-16-12-4-2-1-3-5-12/h1-9,15,20H,10-11H2/b17-16+.
What are the key properties of 4-phenyldiazenyl-N-(2-sulfanylethyl)benzenesulfonamide?
4-phenyldiazenyl-N-(2-sulfanylethyl)benzenesulfonamide has a molecular weight of 321.43 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyldiazenyl-N-(2-sulfanylethyl)benzenesulfonamide is sourced from PubChem (CID 101031707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).