N,N,2-trimethyl-5-(piperidin-1-yldiazenyl)benzenesulfonamide

C14H22N4O2S — CID 71366649

IUPACN,N,2-trimethyl-5-(piperidin-1-yldiazenyl)benzenesulfonamide
SMILESCc1ccc(/N=N/N2CCCCC2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C14H22N4O2S/c1-12-7-8-13(11-14(12)21(19,20)17(2)3)15-16-18-9-5-4-6-10-18/h7-8,11H,4-6,9-10H2,1-3H3/b16-15+
InChIKeyYSMBXCMVXUIYDG-FOCLMDBBSA-N
MW310.42 g/mol
LogP2.73
Rot. Bonds4

About N,N,2-trimethyl-5-(piperidin-1-yldiazenyl)benzenesulfonamide

N,N,2-trimethyl-5-(piperidin-1-yldiazenyl)benzenesulfonamide (PubChem CID 71366649) has the molecular formula C14H22N4O2S and a molecular weight of 310.42 g/mol. Its IUPAC name is N,N,2-trimethyl-5-(piperidin-1-yldiazenyl)benzenesulfonamide.

Molecular Properties

Compound NameN,N,2-trimethyl-5-(piperidin-1-yldiazenyl)benzenesulfonamide
PubChem CID71366649
Molecular FormulaC14H22N4O2S
Molecular Weight310.42 g/mol
Exact Mass310.15
IUPAC NameN,N,2-trimethyl-5-(piperidin-1-yldiazenyl)benzenesulfonamide
SMILESCc1ccc(/N=N/N2CCCCC2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C14H22N4O2S/c1-12-7-8-13(11-14(12)21(19,20)17(2)3)15-16-18-9-5-4-6-10-18/h7-8,11H,4-6,9-10H2,1-3H3/b16-15+
InChIKeyYSMBXCMVXUIYDG-FOCLMDBBSA-N
XLogP2.73
TPSA65.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 52.73
H-Bond Donors ≤ 50
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,N,2-trimethyl-5-(piperidin-1-yldiazenyl)benzenesulfonamide?
The IUPAC name of N,N,2-trimethyl-5-(piperidin-1-yldiazenyl)benzenesulfonamide (CID 71366649) is N,N,2-trimethyl-5-(piperidin-1-yldiazenyl)benzenesulfonamide.
What is the SMILES notation for N,N,2-trimethyl-5-(piperidin-1-yldiazenyl)benzenesulfonamide?
The canonical SMILES for N,N,2-trimethyl-5-(piperidin-1-yldiazenyl)benzenesulfonamide is Cc1ccc(/N=N/N2CCCCC2)cc1S(=O)(=O)N(C)C.
What is the InChIKey of N,N,2-trimethyl-5-(piperidin-1-yldiazenyl)benzenesulfonamide?
The InChIKey is YSMBXCMVXUIYDG-FOCLMDBBSA-N. The full InChI is InChI=1S/C14H22N4O2S/c1-12-7-8-13(11-14(12)21(19,20)17(2)3)15-16-18-9-5-4-6-10-18/h7-8,11H,4-6,9-10H2,1-3H3/b16-15+.
What are the key properties of N,N,2-trimethyl-5-(piperidin-1-yldiazenyl)benzenesulfonamide?
N,N,2-trimethyl-5-(piperidin-1-yldiazenyl)benzenesulfonamide has a molecular weight of 310.42 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethyl-5-(piperidin-1-yldiazenyl)benzenesulfonamide is sourced from PubChem (CID 71366649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).