4-chlorosulfonylpiperazine-1-sulfonyl fluoride

C4H8ClFN2O4S2 — CID 131181579

IUPAC4-chlorosulfonylpiperazine-1-sulfonyl fluoride
SMILESO=S(=O)(F)N1CCN(S(=O)(=O)Cl)CC1
InChIInChI=1S/C4H8ClFN2O4S2/c5-13(9,10)7-1-3-8(4-2-7)14(6,11)12/h1-4H2
InChIKeyGMBZGDUHQFWFFE-UHFFFAOYSA-N
MW266.70 g/mol
LogP-0.70
Rot. Bonds2

About 4-chlorosulfonylpiperazine-1-sulfonyl fluoride

4-chlorosulfonylpiperazine-1-sulfonyl fluoride (PubChem CID 131181579) has the molecular formula C4H8ClFN2O4S2 and a molecular weight of 266.70 g/mol. Its IUPAC name is 4-chlorosulfonylpiperazine-1-sulfonyl fluoride.

Molecular Properties

Compound Name4-chlorosulfonylpiperazine-1-sulfonyl fluoride
PubChem CID131181579
Molecular FormulaC4H8ClFN2O4S2
Molecular Weight266.70 g/mol
Exact Mass265.96
IUPAC Name4-chlorosulfonylpiperazine-1-sulfonyl fluoride
SMILESO=S(=O)(F)N1CCN(S(=O)(=O)Cl)CC1
InChIInChI=1S/C4H8ClFN2O4S2/c5-13(9,10)7-1-3-8(4-2-7)14(6,11)12/h1-4H2
InChIKeyGMBZGDUHQFWFFE-UHFFFAOYSA-N
XLogP-0.70
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.70
LogP ≤ 5-0.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-chlorosulfonylpiperazine-1-sulfonyl fluoride 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-chlorosulfonylpiperazine-1-sulfonyl fluoride?
The IUPAC name of 4-chlorosulfonylpiperazine-1-sulfonyl fluoride (CID 131181579) is 4-chlorosulfonylpiperazine-1-sulfonyl fluoride.
What is the SMILES notation for 4-chlorosulfonylpiperazine-1-sulfonyl fluoride?
The canonical SMILES for 4-chlorosulfonylpiperazine-1-sulfonyl fluoride is O=S(=O)(F)N1CCN(S(=O)(=O)Cl)CC1.
What is the InChIKey of 4-chlorosulfonylpiperazine-1-sulfonyl fluoride?
The InChIKey is GMBZGDUHQFWFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8ClFN2O4S2/c5-13(9,10)7-1-3-8(4-2-7)14(6,11)12/h1-4H2.
What are the key properties of 4-chlorosulfonylpiperazine-1-sulfonyl fluoride?
4-chlorosulfonylpiperazine-1-sulfonyl fluoride has a molecular weight of 266.70 g/mol, XLogP of -0.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chlorosulfonylpiperazine-1-sulfonyl fluoride is sourced from PubChem (CID 131181579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).