2-[(5-bromopyrimidin-4-yl)amino]ethanesulfonamide

C6H9BrN4O2S — CID 66340107

IUPAC2-[(5-bromopyrimidin-4-yl)amino]ethanesulfonamide
SMILESNS(=O)(=O)CCNc1ncncc1Br
InChIInChI=1S/C6H9BrN4O2S/c7-5-3-9-4-11-6(5)10-1-2-14(8,12)13/h3-4H,1-2H2,(H2,8,12,13)(H,9,10,11)
InChIKeyBRDDOZRIBIBLLW-UHFFFAOYSA-N
MW281.13 g/mol
LogP-0.06
Rot. Bonds4

About 2-[(5-bromopyrimidin-4-yl)amino]ethanesulfonamide

2-[(5-bromopyrimidin-4-yl)amino]ethanesulfonamide (PubChem CID 66340107) has the molecular formula C6H9BrN4O2S and a molecular weight of 281.13 g/mol. Its IUPAC name is 2-[(5-bromopyrimidin-4-yl)amino]ethanesulfonamide.

Molecular Properties

Compound Name2-[(5-bromopyrimidin-4-yl)amino]ethanesulfonamide
PubChem CID66340107
Molecular FormulaC6H9BrN4O2S
Molecular Weight281.13 g/mol
Exact Mass279.96
IUPAC Name2-[(5-bromopyrimidin-4-yl)amino]ethanesulfonamide
SMILESNS(=O)(=O)CCNc1ncncc1Br
InChIInChI=1S/C6H9BrN4O2S/c7-5-3-9-4-11-6(5)10-1-2-14(8,12)13/h3-4H,1-2H2,(H2,8,12,13)(H,9,10,11)
InChIKeyBRDDOZRIBIBLLW-UHFFFAOYSA-N
XLogP-0.06
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.13
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromopyrimidin-4-yl)amino]ethanesulfonamide?
The IUPAC name of 2-[(5-bromopyrimidin-4-yl)amino]ethanesulfonamide (CID 66340107) is 2-[(5-bromopyrimidin-4-yl)amino]ethanesulfonamide.
What is the SMILES notation for 2-[(5-bromopyrimidin-4-yl)amino]ethanesulfonamide?
The canonical SMILES for 2-[(5-bromopyrimidin-4-yl)amino]ethanesulfonamide is NS(=O)(=O)CCNc1ncncc1Br.
What is the InChIKey of 2-[(5-bromopyrimidin-4-yl)amino]ethanesulfonamide?
The InChIKey is BRDDOZRIBIBLLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9BrN4O2S/c7-5-3-9-4-11-6(5)10-1-2-14(8,12)13/h3-4H,1-2H2,(H2,8,12,13)(H,9,10,11).
What are the key properties of 2-[(5-bromopyrimidin-4-yl)amino]ethanesulfonamide?
2-[(5-bromopyrimidin-4-yl)amino]ethanesulfonamide has a molecular weight of 281.13 g/mol, XLogP of -0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromopyrimidin-4-yl)amino]ethanesulfonamide is sourced from PubChem (CID 66340107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).