N,N-dimethyl-4-phenylpiperazine-1-sulfonamide

C12H19N3O2S — CID 669784

IUPACN,N-dimethyl-4-phenylpiperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C12H19N3O2S/c1-13(2)18(16,17)15-10-8-14(9-11-15)12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3
InChIKeyGTIBDSXCKGYQME-UHFFFAOYSA-N
MW269.37 g/mol
LogP0.62
Rot. Bonds3

About N,N-dimethyl-4-phenylpiperazine-1-sulfonamide

N,N-dimethyl-4-phenylpiperazine-1-sulfonamide (PubChem CID 669784) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is N,N-dimethyl-4-phenylpiperazine-1-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-phenylpiperazine-1-sulfonamide
PubChem CID669784
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC NameN,N-dimethyl-4-phenylpiperazine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C12H19N3O2S/c1-13(2)18(16,17)15-10-8-14(9-11-15)12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3
InChIKeyGTIBDSXCKGYQME-UHFFFAOYSA-N
XLogP0.62
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-phenylpiperazine-1-sulfonamide?
The IUPAC name of N,N-dimethyl-4-phenylpiperazine-1-sulfonamide (CID 669784) is N,N-dimethyl-4-phenylpiperazine-1-sulfonamide.
What is the SMILES notation for N,N-dimethyl-4-phenylpiperazine-1-sulfonamide?
The canonical SMILES for N,N-dimethyl-4-phenylpiperazine-1-sulfonamide is CN(C)S(=O)(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of N,N-dimethyl-4-phenylpiperazine-1-sulfonamide?
The InChIKey is GTIBDSXCKGYQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-13(2)18(16,17)15-10-8-14(9-11-15)12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3.
What are the key properties of N,N-dimethyl-4-phenylpiperazine-1-sulfonamide?
N,N-dimethyl-4-phenylpiperazine-1-sulfonamide has a molecular weight of 269.37 g/mol, XLogP of 0.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-phenylpiperazine-1-sulfonamide is sourced from PubChem (CID 669784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).