4-(piperidin-1-yldiazenyl)benzenesulfonamide

C11H16N4O2S — CID 799983

IUPAC4-(piperidin-1-yldiazenyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(/N=N/N2CCCCC2)cc1
InChIInChI=1S/C11H16N4O2S/c12-18(16,17)11-6-4-10(5-7-11)13-14-15-8-2-1-3-9-15/h4-7H,1-3,8-9H2,(H2,12,16,17)/b14-13+
InChIKeyJXRSXOIWHQWBNW-BUHFOSPRSA-N
MW268.34 g/mol
LogP1.82
Rot. Bonds3

About 4-(piperidin-1-yldiazenyl)benzenesulfonamide

4-(piperidin-1-yldiazenyl)benzenesulfonamide (PubChem CID 799983) has the molecular formula C11H16N4O2S and a molecular weight of 268.34 g/mol. Its IUPAC name is 4-(piperidin-1-yldiazenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(piperidin-1-yldiazenyl)benzenesulfonamide
PubChem CID799983
Molecular FormulaC11H16N4O2S
Molecular Weight268.34 g/mol
Exact Mass268.10
IUPAC Name4-(piperidin-1-yldiazenyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(/N=N/N2CCCCC2)cc1
InChIInChI=1S/C11H16N4O2S/c12-18(16,17)11-6-4-10(5-7-11)13-14-15-8-2-1-3-9-15/h4-7H,1-3,8-9H2,(H2,12,16,17)/b14-13+
InChIKeyJXRSXOIWHQWBNW-BUHFOSPRSA-N
XLogP1.82
TPSA88.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 51.82
H-Bond Donors ≤ 51
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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Related Compounds

Sulthiame
CID 5356
4-Azidobenzenesulfonamide
CID 3558590
4-amino-N,N-diethylbenzene-1-sulfonamide
CID 95067
4-(Piperazin-1-yl)benzene-1-sulfonamide
CID 901897
4-(4-Methylpiperazine-1-sulfonyl)aniline
CID 567261
Benzenesulfonamide, 4-amino-N,N-dimethyl-
CID 74369
Benzenesulfonamide, p-((p-(dimethylamino)phenyl)azo)-
CID 75522
1-(4-Isothiocyanatophenylsulfonyl)piperidine
CID 23815
4-amino-N-ethyl-N-phenylbenzenesulfonamide
CID 833589
4-(Pyrrolidine-1-sulfonyl)aniline
CID 535805
4-(3,3-Dimethyl-1-triazen-1-yl)benzenesulfonamide
CID 94575
2-Methyl-1-(4-nitrophenyl)sulfonylpiperidine
CID 2842827

Frequently Asked Questions

What is the IUPAC name of 4-(piperidin-1-yldiazenyl)benzenesulfonamide?
The IUPAC name of 4-(piperidin-1-yldiazenyl)benzenesulfonamide (CID 799983) is 4-(piperidin-1-yldiazenyl)benzenesulfonamide.
What is the SMILES notation for 4-(piperidin-1-yldiazenyl)benzenesulfonamide?
The canonical SMILES for 4-(piperidin-1-yldiazenyl)benzenesulfonamide is NS(=O)(=O)c1ccc(/N=N/N2CCCCC2)cc1.
What is the InChIKey of 4-(piperidin-1-yldiazenyl)benzenesulfonamide?
The InChIKey is JXRSXOIWHQWBNW-BUHFOSPRSA-N. The full InChI is InChI=1S/C11H16N4O2S/c12-18(16,17)11-6-4-10(5-7-11)13-14-15-8-2-1-3-9-15/h4-7H,1-3,8-9H2,(H2,12,16,17)/b14-13+.
What are the key properties of 4-(piperidin-1-yldiazenyl)benzenesulfonamide?
4-(piperidin-1-yldiazenyl)benzenesulfonamide has a molecular weight of 268.34 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(piperidin-1-yldiazenyl)benzenesulfonamide is sourced from PubChem (CID 799983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).