4-hydroxy-1,3-benzoxazole-5-sulfonyl chloride

C7H4ClNO4S — CID 84796537

IUPAC4-hydroxy-1,3-benzoxazole-5-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc2ocnc2c1O
InChIInChI=1S/C7H4ClNO4S/c8-14(11,12)5-2-1-4-6(7(5)10)9-3-13-4/h1-3,10H
InChIKeyGMNXCPSOZXSSAX-UHFFFAOYSA-N
MW233.63 g/mol
LogP1.46
Rot. Bonds1

About 4-hydroxy-1,3-benzoxazole-5-sulfonyl chloride

4-hydroxy-1,3-benzoxazole-5-sulfonyl chloride (PubChem CID 84796537) has the molecular formula C7H4ClNO4S and a molecular weight of 233.63 g/mol. Its IUPAC name is 4-hydroxy-1,3-benzoxazole-5-sulfonyl chloride.

Molecular Properties

Compound Name4-hydroxy-1,3-benzoxazole-5-sulfonyl chloride
PubChem CID84796537
Molecular FormulaC7H4ClNO4S
Molecular Weight233.63 g/mol
Exact Mass232.95
IUPAC Name4-hydroxy-1,3-benzoxazole-5-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc2ocnc2c1O
InChIInChI=1S/C7H4ClNO4S/c8-14(11,12)5-2-1-4-6(7(5)10)9-3-13-4/h1-3,10H
InChIKeyGMNXCPSOZXSSAX-UHFFFAOYSA-N
XLogP1.46
TPSA80.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.63
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1,3-benzoxazole-5-sulfonyl chloride?
The IUPAC name of 4-hydroxy-1,3-benzoxazole-5-sulfonyl chloride (CID 84796537) is 4-hydroxy-1,3-benzoxazole-5-sulfonyl chloride.
What is the SMILES notation for 4-hydroxy-1,3-benzoxazole-5-sulfonyl chloride?
The canonical SMILES for 4-hydroxy-1,3-benzoxazole-5-sulfonyl chloride is O=S(=O)(Cl)c1ccc2ocnc2c1O.
What is the InChIKey of 4-hydroxy-1,3-benzoxazole-5-sulfonyl chloride?
The InChIKey is GMNXCPSOZXSSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClNO4S/c8-14(11,12)5-2-1-4-6(7(5)10)9-3-13-4/h1-3,10H.
What are the key properties of 4-hydroxy-1,3-benzoxazole-5-sulfonyl chloride?
4-hydroxy-1,3-benzoxazole-5-sulfonyl chloride has a molecular weight of 233.63 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1,3-benzoxazole-5-sulfonyl chloride is sourced from PubChem (CID 84796537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).