2-bromopyrimidine-5-sulfonyl chloride

C4H2BrClN2O2S — CID 59406185

IUPAC2-bromopyrimidine-5-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cnc(Br)nc1
InChIInChI=1S/C4H2BrClN2O2S/c5-4-7-1-3(2-8-4)11(6,9)10/h1-2H
InChIKeyOZEMQZLZWFQQGJ-UHFFFAOYSA-N
MW257.50 g/mol
LogP1.17
Rot. Bonds1

About 2-bromopyrimidine-5-sulfonyl chloride

2-bromopyrimidine-5-sulfonyl chloride (PubChem CID 59406185) has the molecular formula C4H2BrClN2O2S and a molecular weight of 257.50 g/mol. Its IUPAC name is 2-bromopyrimidine-5-sulfonyl chloride.

Molecular Properties

Compound Name2-bromopyrimidine-5-sulfonyl chloride
PubChem CID59406185
Molecular FormulaC4H2BrClN2O2S
Molecular Weight257.50 g/mol
Exact Mass255.87
IUPAC Name2-bromopyrimidine-5-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cnc(Br)nc1
InChIInChI=1S/C4H2BrClN2O2S/c5-4-7-1-3(2-8-4)11(6,9)10/h1-2H
InChIKeyOZEMQZLZWFQQGJ-UHFFFAOYSA-N
XLogP1.17
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.50
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-bromopyrimidine-5-sulfonyl chloride?
The IUPAC name of 2-bromopyrimidine-5-sulfonyl chloride (CID 59406185) is 2-bromopyrimidine-5-sulfonyl chloride.
What is the SMILES notation for 2-bromopyrimidine-5-sulfonyl chloride?
The canonical SMILES for 2-bromopyrimidine-5-sulfonyl chloride is O=S(=O)(Cl)c1cnc(Br)nc1.
What is the InChIKey of 2-bromopyrimidine-5-sulfonyl chloride?
The InChIKey is OZEMQZLZWFQQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2BrClN2O2S/c5-4-7-1-3(2-8-4)11(6,9)10/h1-2H.
What are the key properties of 2-bromopyrimidine-5-sulfonyl chloride?
2-bromopyrimidine-5-sulfonyl chloride has a molecular weight of 257.50 g/mol, XLogP of 1.17, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromopyrimidine-5-sulfonyl chloride is sourced from PubChem (CID 59406185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).