N,3-dimethyl-5-piperazin-1-ylbenzenesulfonamide

C12H19N3O2S — CID 28917114

IUPACN,3-dimethyl-5-piperazin-1-ylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(C)cc(N2CCNCC2)c1
InChIInChI=1S/C12H19N3O2S/c1-10-7-11(15-5-3-14-4-6-15)9-12(8-10)18(16,17)13-2/h7-9,13-14H,3-6H2,1-2H3
InChIKeyLWQXOTQWMYPDPZ-UHFFFAOYSA-N
MW269.37 g/mol
LogP0.31
Rot. Bonds3

About N,3-dimethyl-5-piperazin-1-ylbenzenesulfonamide

N,3-dimethyl-5-piperazin-1-ylbenzenesulfonamide (PubChem CID 28917114) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is N,3-dimethyl-5-piperazin-1-ylbenzenesulfonamide.

Molecular Properties

Compound NameN,3-dimethyl-5-piperazin-1-ylbenzenesulfonamide
PubChem CID28917114
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC NameN,3-dimethyl-5-piperazin-1-ylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(C)cc(N2CCNCC2)c1
InChIInChI=1S/C12H19N3O2S/c1-10-7-11(15-5-3-14-4-6-15)9-12(8-10)18(16,17)13-2/h7-9,13-14H,3-6H2,1-2H3
InChIKeyLWQXOTQWMYPDPZ-UHFFFAOYSA-N
XLogP0.31
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-5-piperazin-1-ylbenzenesulfonamide?
The IUPAC name of N,3-dimethyl-5-piperazin-1-ylbenzenesulfonamide (CID 28917114) is N,3-dimethyl-5-piperazin-1-ylbenzenesulfonamide.
What is the SMILES notation for N,3-dimethyl-5-piperazin-1-ylbenzenesulfonamide?
The canonical SMILES for N,3-dimethyl-5-piperazin-1-ylbenzenesulfonamide is CNS(=O)(=O)c1cc(C)cc(N2CCNCC2)c1.
What is the InChIKey of N,3-dimethyl-5-piperazin-1-ylbenzenesulfonamide?
The InChIKey is LWQXOTQWMYPDPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-10-7-11(15-5-3-14-4-6-15)9-12(8-10)18(16,17)13-2/h7-9,13-14H,3-6H2,1-2H3.
What are the key properties of N,3-dimethyl-5-piperazin-1-ylbenzenesulfonamide?
N,3-dimethyl-5-piperazin-1-ylbenzenesulfonamide has a molecular weight of 269.37 g/mol, XLogP of 0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-5-piperazin-1-ylbenzenesulfonamide is sourced from PubChem (CID 28917114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).