2-bromo-1,3-benzoxazole-5-sulfonyl chloride

C7H3BrClNO3S — CID 131212814

IUPAC2-bromo-1,3-benzoxazole-5-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc2oc(Br)nc2c1
InChIInChI=1S/C7H3BrClNO3S/c8-7-10-5-3-4(14(9,11)12)1-2-6(5)13-7/h1-3H
InChIKeyQDKMZWJTZVHKRZ-UHFFFAOYSA-N
MW296.53 g/mol
LogP2.52
Rot. Bonds1

About 2-bromo-1,3-benzoxazole-5-sulfonyl chloride

2-bromo-1,3-benzoxazole-5-sulfonyl chloride (PubChem CID 131212814) has the molecular formula C7H3BrClNO3S and a molecular weight of 296.53 g/mol. Its IUPAC name is 2-bromo-1,3-benzoxazole-5-sulfonyl chloride.

Molecular Properties

Compound Name2-bromo-1,3-benzoxazole-5-sulfonyl chloride
PubChem CID131212814
Molecular FormulaC7H3BrClNO3S
Molecular Weight296.53 g/mol
Exact Mass294.87
IUPAC Name2-bromo-1,3-benzoxazole-5-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc2oc(Br)nc2c1
InChIInChI=1S/C7H3BrClNO3S/c8-7-10-5-3-4(14(9,11)12)1-2-6(5)13-7/h1-3H
InChIKeyQDKMZWJTZVHKRZ-UHFFFAOYSA-N
XLogP2.52
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.53
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-1,3-benzoxazole-5-sulfonyl chloride?
The IUPAC name of 2-bromo-1,3-benzoxazole-5-sulfonyl chloride (CID 131212814) is 2-bromo-1,3-benzoxazole-5-sulfonyl chloride.
What is the SMILES notation for 2-bromo-1,3-benzoxazole-5-sulfonyl chloride?
The canonical SMILES for 2-bromo-1,3-benzoxazole-5-sulfonyl chloride is O=S(=O)(Cl)c1ccc2oc(Br)nc2c1.
What is the InChIKey of 2-bromo-1,3-benzoxazole-5-sulfonyl chloride?
The InChIKey is QDKMZWJTZVHKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrClNO3S/c8-7-10-5-3-4(14(9,11)12)1-2-6(5)13-7/h1-3H.
What are the key properties of 2-bromo-1,3-benzoxazole-5-sulfonyl chloride?
2-bromo-1,3-benzoxazole-5-sulfonyl chloride has a molecular weight of 296.53 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1,3-benzoxazole-5-sulfonyl chloride is sourced from PubChem (CID 131212814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).