4-[4-(1,3,4-thiadiazol-2-ylmethyl)piperazin-1-yl]benzenesulfonamide

C13H17N5O2S2 — CID 146138395

IUPAC4-[4-(1,3,4-thiadiazol-2-ylmethyl)piperazin-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N2CCN(Cc3nncs3)CC2)cc1
InChIInChI=1S/C13H17N5O2S2/c14-22(19,20)12-3-1-11(2-4-12)18-7-5-17(6-8-18)9-13-16-15-10-21-13/h1-4,10H,5-9H2,(H2,14,19,20)
InChIKeyWQSMRZUHZASYQT-UHFFFAOYSA-N
MW339.45 g/mol
LogP0.51
Rot. Bonds4

About 4-[4-(1,3,4-thiadiazol-2-ylmethyl)piperazin-1-yl]benzenesulfonamide

4-[4-(1,3,4-thiadiazol-2-ylmethyl)piperazin-1-yl]benzenesulfonamide (PubChem CID 146138395) has the molecular formula C13H17N5O2S2 and a molecular weight of 339.45 g/mol. Its IUPAC name is 4-[4-(1,3,4-thiadiazol-2-ylmethyl)piperazin-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-(1,3,4-thiadiazol-2-ylmethyl)piperazin-1-yl]benzenesulfonamide
PubChem CID146138395
Molecular FormulaC13H17N5O2S2
Molecular Weight339.45 g/mol
Exact Mass339.08
IUPAC Name4-[4-(1,3,4-thiadiazol-2-ylmethyl)piperazin-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N2CCN(Cc3nncs3)CC2)cc1
InChIInChI=1S/C13H17N5O2S2/c14-22(19,20)12-3-1-11(2-4-12)18-7-5-17(6-8-18)9-13-16-15-10-21-13/h1-4,10H,5-9H2,(H2,14,19,20)
InChIKeyWQSMRZUHZASYQT-UHFFFAOYSA-N
XLogP0.51
TPSA92.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.45
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[4-(2-amino-2-methylpropyl)piperazin-1-yl]benzenesulfonamide
CID 120847656
4-[4-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]benzenesulfonamide
CID 172902149
4-[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]benzenesulfonamide
CID 78877693
4-[4-[(5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]benzenesulfonamide
CID 171997094
4-thiomorpholin-4-ylbenzenesulfonamide
CID 146142612
4-[4-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]benzenesulfonamide
CID 78896377
4-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]benzenesulfonamide
CID 171995786
hypochlorous acid;4-[4-[(2-oxo-3H-1,3-benzoxazol-4-yl)methyl]piperazin-1-yl]benzenesulfonamide
CID 158976268
4-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]benzenesulfonamide
CID 171996749
4-[4-(2-amino-2-methylpropanoyl)piperazin-1-yl]benzenesulfonamide;dihydrochloride
CID 119843903
4-[4-(3-aminopropanoyl)piperazin-1-yl]benzenesulfonamide;dihydrochloride
CID 119843946
4-[4-(azepan-1-ylmethyl)piperidin-1-yl]benzenesulfonamide
CID 146142611

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1,3,4-thiadiazol-2-ylmethyl)piperazin-1-yl]benzenesulfonamide?
The IUPAC name of 4-[4-(1,3,4-thiadiazol-2-ylmethyl)piperazin-1-yl]benzenesulfonamide (CID 146138395) is 4-[4-(1,3,4-thiadiazol-2-ylmethyl)piperazin-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[4-(1,3,4-thiadiazol-2-ylmethyl)piperazin-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[4-(1,3,4-thiadiazol-2-ylmethyl)piperazin-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(N2CCN(Cc3nncs3)CC2)cc1.
What is the InChIKey of 4-[4-(1,3,4-thiadiazol-2-ylmethyl)piperazin-1-yl]benzenesulfonamide?
The InChIKey is WQSMRZUHZASYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2S2/c14-22(19,20)12-3-1-11(2-4-12)18-7-5-17(6-8-18)9-13-16-15-10-21-13/h1-4,10H,5-9H2,(H2,14,19,20).
What are the key properties of 4-[4-(1,3,4-thiadiazol-2-ylmethyl)piperazin-1-yl]benzenesulfonamide?
4-[4-(1,3,4-thiadiazol-2-ylmethyl)piperazin-1-yl]benzenesulfonamide has a molecular weight of 339.45 g/mol, XLogP of 0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1,3,4-thiadiazol-2-ylmethyl)piperazin-1-yl]benzenesulfonamide is sourced from PubChem (CID 146138395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).