2-oxo-3H-1,3-benzoxazole-4-sulfonyl chloride

C7H4ClNO4S — CID 54466539

IUPAC2-oxo-3H-1,3-benzoxazole-4-sulfonyl chloride
SMILESO=c1[nH]c2c(S(=O)(=O)Cl)cccc2o1
InChIInChI=1S/C7H4ClNO4S/c8-14(11,12)5-3-1-2-4-6(5)9-7(10)13-4/h1-3H,(H,9,10)
InChIKeyXFGXBOHPNDJUQI-UHFFFAOYSA-N
MW233.63 g/mol
LogP1.05
Rot. Bonds1

About 2-oxo-3H-1,3-benzoxazole-4-sulfonyl chloride

2-oxo-3H-1,3-benzoxazole-4-sulfonyl chloride (PubChem CID 54466539) has the molecular formula C7H4ClNO4S and a molecular weight of 233.63 g/mol. Its IUPAC name is 2-oxo-3H-1,3-benzoxazole-4-sulfonyl chloride.

Molecular Properties

Compound Name2-oxo-3H-1,3-benzoxazole-4-sulfonyl chloride
PubChem CID54466539
Molecular FormulaC7H4ClNO4S
Molecular Weight233.63 g/mol
Exact Mass232.95
IUPAC Name2-oxo-3H-1,3-benzoxazole-4-sulfonyl chloride
SMILESO=c1[nH]c2c(S(=O)(=O)Cl)cccc2o1
InChIInChI=1S/C7H4ClNO4S/c8-14(11,12)5-3-1-2-4-6(5)9-7(10)13-4/h1-3H,(H,9,10)
InChIKeyXFGXBOHPNDJUQI-UHFFFAOYSA-N
XLogP1.05
TPSA80.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.63
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-3H-1,3-benzoxazole-4-sulfonyl chloride?
The IUPAC name of 2-oxo-3H-1,3-benzoxazole-4-sulfonyl chloride (CID 54466539) is 2-oxo-3H-1,3-benzoxazole-4-sulfonyl chloride.
What is the SMILES notation for 2-oxo-3H-1,3-benzoxazole-4-sulfonyl chloride?
The canonical SMILES for 2-oxo-3H-1,3-benzoxazole-4-sulfonyl chloride is O=c1[nH]c2c(S(=O)(=O)Cl)cccc2o1.
What is the InChIKey of 2-oxo-3H-1,3-benzoxazole-4-sulfonyl chloride?
The InChIKey is XFGXBOHPNDJUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClNO4S/c8-14(11,12)5-3-1-2-4-6(5)9-7(10)13-4/h1-3H,(H,9,10).
What are the key properties of 2-oxo-3H-1,3-benzoxazole-4-sulfonyl chloride?
2-oxo-3H-1,3-benzoxazole-4-sulfonyl chloride has a molecular weight of 233.63 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-3H-1,3-benzoxazole-4-sulfonyl chloride is sourced from PubChem (CID 54466539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).