3-(piperazine-1-carbonyl)furan-2-sulfonamide

C9H13N3O4S — CID 152513607

IUPAC3-(piperazine-1-carbonyl)furan-2-sulfonamide
SMILESNS(=O)(=O)c1occc1C(=O)N1CCNCC1
InChIInChI=1S/C9H13N3O4S/c10-17(14,15)9-7(1-6-16-9)8(13)12-4-2-11-3-5-12/h1,6,11H,2-5H2,(H2,10,14,15)
InChIKeyYGANFYJCZAUAIV-UHFFFAOYSA-N
MW259.29 g/mol
LogP-1.03
Rot. Bonds2

About 3-(piperazine-1-carbonyl)furan-2-sulfonamide

3-(piperazine-1-carbonyl)furan-2-sulfonamide (PubChem CID 152513607) has the molecular formula C9H13N3O4S and a molecular weight of 259.29 g/mol. Its IUPAC name is 3-(piperazine-1-carbonyl)furan-2-sulfonamide.

Molecular Properties

Compound Name3-(piperazine-1-carbonyl)furan-2-sulfonamide
PubChem CID152513607
Molecular FormulaC9H13N3O4S
Molecular Weight259.29 g/mol
Exact Mass259.06
IUPAC Name3-(piperazine-1-carbonyl)furan-2-sulfonamide
SMILESNS(=O)(=O)c1occc1C(=O)N1CCNCC1
InChIInChI=1S/C9H13N3O4S/c10-17(14,15)9-7(1-6-16-9)8(13)12-4-2-11-3-5-12/h1,6,11H,2-5H2,(H2,10,14,15)
InChIKeyYGANFYJCZAUAIV-UHFFFAOYSA-N
XLogP-1.03
TPSA105.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 5-1.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(piperazine-1-carbonyl)furan-2-sulfonamide?
The IUPAC name of 3-(piperazine-1-carbonyl)furan-2-sulfonamide (CID 152513607) is 3-(piperazine-1-carbonyl)furan-2-sulfonamide.
What is the SMILES notation for 3-(piperazine-1-carbonyl)furan-2-sulfonamide?
The canonical SMILES for 3-(piperazine-1-carbonyl)furan-2-sulfonamide is NS(=O)(=O)c1occc1C(=O)N1CCNCC1.
What is the InChIKey of 3-(piperazine-1-carbonyl)furan-2-sulfonamide?
The InChIKey is YGANFYJCZAUAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O4S/c10-17(14,15)9-7(1-6-16-9)8(13)12-4-2-11-3-5-12/h1,6,11H,2-5H2,(H2,10,14,15).
What are the key properties of 3-(piperazine-1-carbonyl)furan-2-sulfonamide?
3-(piperazine-1-carbonyl)furan-2-sulfonamide has a molecular weight of 259.29 g/mol, XLogP of -1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(piperazine-1-carbonyl)furan-2-sulfonamide is sourced from PubChem (CID 152513607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).