4-[(2-amino-5-bromo-3-pyridinyl)sulfonyl]piperazin-2-one

C9H11BrN4O3S — CID 62143361

IUPAC4-[(2-amino-5-bromo-3-pyridinyl)sulfonyl]piperazin-2-one
SMILESNc1ncc(Br)cc1S(=O)(=O)N1CCNC(=O)C1
InChIInChI=1S/C9H11BrN4O3S/c10-6-3-7(9(11)13-4-6)18(16,17)14-2-1-12-8(15)5-14/h3-4H,1-2,5H2,(H2,11,13)(H,12,15)
InChIKeyNIHMMEHUVPGGTC-UHFFFAOYSA-N
MW335.18 g/mol
LogP-0.45
Rot. Bonds2

About 4-[(2-amino-5-bromo-3-pyridinyl)sulfonyl]piperazin-2-one

4-[(2-amino-5-bromo-3-pyridinyl)sulfonyl]piperazin-2-one (PubChem CID 62143361) has the molecular formula C9H11BrN4O3S and a molecular weight of 335.18 g/mol. Its IUPAC name is 4-[(2-amino-5-bromo-3-pyridinyl)sulfonyl]piperazin-2-one.

Molecular Properties

Compound Name4-[(2-amino-5-bromo-3-pyridinyl)sulfonyl]piperazin-2-one
PubChem CID62143361
Molecular FormulaC9H11BrN4O3S
Molecular Weight335.18 g/mol
Exact Mass333.97
IUPAC Name4-[(2-amino-5-bromo-3-pyridinyl)sulfonyl]piperazin-2-one
SMILESNc1ncc(Br)cc1S(=O)(=O)N1CCNC(=O)C1
InChIInChI=1S/C9H11BrN4O3S/c10-6-3-7(9(11)13-4-6)18(16,17)14-2-1-12-8(15)5-14/h3-4H,1-2,5H2,(H2,11,13)(H,12,15)
InChIKeyNIHMMEHUVPGGTC-UHFFFAOYSA-N
XLogP-0.45
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.18
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-5-bromo-3-pyridinyl)sulfonyl]piperazin-2-one?
The IUPAC name of 4-[(2-amino-5-bromo-3-pyridinyl)sulfonyl]piperazin-2-one (CID 62143361) is 4-[(2-amino-5-bromo-3-pyridinyl)sulfonyl]piperazin-2-one.
What is the SMILES notation for 4-[(2-amino-5-bromo-3-pyridinyl)sulfonyl]piperazin-2-one?
The canonical SMILES for 4-[(2-amino-5-bromo-3-pyridinyl)sulfonyl]piperazin-2-one is Nc1ncc(Br)cc1S(=O)(=O)N1CCNC(=O)C1.
What is the InChIKey of 4-[(2-amino-5-bromo-3-pyridinyl)sulfonyl]piperazin-2-one?
The InChIKey is NIHMMEHUVPGGTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN4O3S/c10-6-3-7(9(11)13-4-6)18(16,17)14-2-1-12-8(15)5-14/h3-4H,1-2,5H2,(H2,11,13)(H,12,15).
What are the key properties of 4-[(2-amino-5-bromo-3-pyridinyl)sulfonyl]piperazin-2-one?
4-[(2-amino-5-bromo-3-pyridinyl)sulfonyl]piperazin-2-one has a molecular weight of 335.18 g/mol, XLogP of -0.45, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-5-bromo-3-pyridinyl)sulfonyl]piperazin-2-one is sourced from PubChem (CID 62143361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).