N-phenyl-4-(2,2,6,6-tetradeuteriopiperazin-1-yl)benzenesulfonamide

C16H19N3O2S — CID 135315096

IUPACN-phenyl-4-(2,2,6,6-tetradeuteriopiperazin-1-yl)benzenesulfonamide
SMILES[2H]C1([2H])CNCC([2H])([2H])N1c1ccc(S(=O)(=O)Nc2ccccc2)cc1
InChIInChI=1S/C16H19N3O2S/c20-22(21,18-14-4-2-1-3-5-14)16-8-6-15(7-9-16)19-12-10-17-11-13-19/h1-9,17-18H,10-13H2/i12D2,13D2
InChIKeyGKBIZJRYEUSKJK-IDPVZSQYSA-N
MW321.44 g/mol
LogP1.90
Rot. Bonds4

About N-phenyl-4-(2,2,6,6-tetradeuteriopiperazin-1-yl)benzenesulfonamide

N-phenyl-4-(2,2,6,6-tetradeuteriopiperazin-1-yl)benzenesulfonamide (PubChem CID 135315096) has the molecular formula C16H19N3O2S and a molecular weight of 321.44 g/mol. Its IUPAC name is N-phenyl-4-(2,2,6,6-tetradeuteriopiperazin-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-phenyl-4-(2,2,6,6-tetradeuteriopiperazin-1-yl)benzenesulfonamide
PubChem CID135315096
Molecular FormulaC16H19N3O2S
Molecular Weight321.44 g/mol
Exact Mass321.14
IUPAC NameN-phenyl-4-(2,2,6,6-tetradeuteriopiperazin-1-yl)benzenesulfonamide
SMILES[2H]C1([2H])CNCC([2H])([2H])N1c1ccc(S(=O)(=O)Nc2ccccc2)cc1
InChIInChI=1S/C16H19N3O2S/c20-22(21,18-14-4-2-1-3-5-14)16-8-6-15(7-9-16)19-12-10-17-11-13-19/h1-9,17-18H,10-13H2/i12D2,13D2
InChIKeyGKBIZJRYEUSKJK-IDPVZSQYSA-N
XLogP1.90
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.44
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(4-chlorophenyl)piperazin-1-yl]-N-phenylbenzenesulfonamide
CID 173255445
4-[4-(phenylsulfamoyl)phenyl]piperazine-1-carboxylic acid
CID 155045949
N-(3-piperazin-1-ylphenyl)benzenesulfonamide
CID 11849196
4-(benzenesulfonamido)-N-phenylbenzenesulfonamide
CID 1333712
4-(2,5-dioxopyrrolidin-1-yl)-N-phenylbenzenesulfonamide
CID 867577
3-amino-N-phenyl-4-piperazin-1-ylbenzenesulfonamide
CID 22272481
N-(3,5-dichlorophenyl)-4-piperazin-1-ylbenzenesulfonamide
CID 126622029
4-(1,4-diazepane-1-carbonyl)-N-phenylbenzenesulfonamide;hydrochloride
CID 119415914
4-(1,1-dioxothiazinan-2-yl)-N-phenylbenzenesulfonamide
CID 7517150
4-morpholin-4-yl-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 21173992
4-chloro-N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]benzenesulfonamide
CID 112983361
4-ethylsulfonyl-N-phenylbenzenesulfonamide
CID 87026098

Frequently Asked Questions

What is the IUPAC name of N-phenyl-4-(2,2,6,6-tetradeuteriopiperazin-1-yl)benzenesulfonamide?
The IUPAC name of N-phenyl-4-(2,2,6,6-tetradeuteriopiperazin-1-yl)benzenesulfonamide (CID 135315096) is N-phenyl-4-(2,2,6,6-tetradeuteriopiperazin-1-yl)benzenesulfonamide.
What is the SMILES notation for N-phenyl-4-(2,2,6,6-tetradeuteriopiperazin-1-yl)benzenesulfonamide?
The canonical SMILES for N-phenyl-4-(2,2,6,6-tetradeuteriopiperazin-1-yl)benzenesulfonamide is [2H]C1([2H])CNCC([2H])([2H])N1c1ccc(S(=O)(=O)Nc2ccccc2)cc1.
What is the InChIKey of N-phenyl-4-(2,2,6,6-tetradeuteriopiperazin-1-yl)benzenesulfonamide?
The InChIKey is GKBIZJRYEUSKJK-IDPVZSQYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c20-22(21,18-14-4-2-1-3-5-14)16-8-6-15(7-9-16)19-12-10-17-11-13-19/h1-9,17-18H,10-13H2/i12D2,13D2.
What are the key properties of N-phenyl-4-(2,2,6,6-tetradeuteriopiperazin-1-yl)benzenesulfonamide?
N-phenyl-4-(2,2,6,6-tetradeuteriopiperazin-1-yl)benzenesulfonamide has a molecular weight of 321.44 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4-(2,2,6,6-tetradeuteriopiperazin-1-yl)benzenesulfonamide is sourced from PubChem (CID 135315096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).