4-[(5-amino-1H-pyrazol-4-yl)sulfonyl]piperazine-1-sulfonamide

C7H14N6O4S2 — CID 61126234

IUPAC4-[(5-amino-1H-pyrazol-4-yl)sulfonyl]piperazine-1-sulfonamide
SMILESNc1[nH]ncc1S(=O)(=O)N1CCN(S(N)(=O)=O)CC1
InChIInChI=1S/C7H14N6O4S2/c8-7-6(5-10-11-7)18(14,15)12-1-3-13(4-2-12)19(9,16)17/h5H,1-4H2,(H3,8,10,11)(H2,9,16,17)
InChIKeyXIMDOZXZLCBWDN-UHFFFAOYSA-N
MW310.36 g/mol
LogP-2.50
Rot. Bonds3

About 4-[(5-amino-1H-pyrazol-4-yl)sulfonyl]piperazine-1-sulfonamide

4-[(5-amino-1H-pyrazol-4-yl)sulfonyl]piperazine-1-sulfonamide (PubChem CID 61126234) has the molecular formula C7H14N6O4S2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 4-[(5-amino-1H-pyrazol-4-yl)sulfonyl]piperazine-1-sulfonamide.

Molecular Properties

Compound Name4-[(5-amino-1H-pyrazol-4-yl)sulfonyl]piperazine-1-sulfonamide
PubChem CID61126234
Molecular FormulaC7H14N6O4S2
Molecular Weight310.36 g/mol
Exact Mass310.05
IUPAC Name4-[(5-amino-1H-pyrazol-4-yl)sulfonyl]piperazine-1-sulfonamide
SMILESNc1[nH]ncc1S(=O)(=O)N1CCN(S(N)(=O)=O)CC1
InChIInChI=1S/C7H14N6O4S2/c8-7-6(5-10-11-7)18(14,15)12-1-3-13(4-2-12)19(9,16)17/h5H,1-4H2,(H3,8,10,11)(H2,9,16,17)
InChIKeyXIMDOZXZLCBWDN-UHFFFAOYSA-N
XLogP-2.50
TPSA155.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 5-2.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[(5-amino-1H-pyrazol-4-yl)sulfonyl]piperazine-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(5-amino-1H-pyrazol-4-yl)sulfonyl]piperazine-1-sulfonamide?
The IUPAC name of 4-[(5-amino-1H-pyrazol-4-yl)sulfonyl]piperazine-1-sulfonamide (CID 61126234) is 4-[(5-amino-1H-pyrazol-4-yl)sulfonyl]piperazine-1-sulfonamide.
What is the SMILES notation for 4-[(5-amino-1H-pyrazol-4-yl)sulfonyl]piperazine-1-sulfonamide?
The canonical SMILES for 4-[(5-amino-1H-pyrazol-4-yl)sulfonyl]piperazine-1-sulfonamide is Nc1[nH]ncc1S(=O)(=O)N1CCN(S(N)(=O)=O)CC1.
What is the InChIKey of 4-[(5-amino-1H-pyrazol-4-yl)sulfonyl]piperazine-1-sulfonamide?
The InChIKey is XIMDOZXZLCBWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N6O4S2/c8-7-6(5-10-11-7)18(14,15)12-1-3-13(4-2-12)19(9,16)17/h5H,1-4H2,(H3,8,10,11)(H2,9,16,17).
What are the key properties of 4-[(5-amino-1H-pyrazol-4-yl)sulfonyl]piperazine-1-sulfonamide?
4-[(5-amino-1H-pyrazol-4-yl)sulfonyl]piperazine-1-sulfonamide has a molecular weight of 310.36 g/mol, XLogP of -2.50, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-amino-1H-pyrazol-4-yl)sulfonyl]piperazine-1-sulfonamide is sourced from PubChem (CID 61126234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).