1,3-benzoxazole-7-sulfonyl chloride

C7H4ClNO3S — CID 83821826

IUPAC1,3-benzoxazole-7-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cccc2ncoc12
InChIInChI=1S/C7H4ClNO3S/c8-13(10,11)6-3-1-2-5-7(6)12-4-9-5/h1-4H
InChIKeyUMTOBARUDRSVJT-UHFFFAOYSA-N
MW217.63 g/mol
LogP1.76
Rot. Bonds1

About 1,3-benzoxazole-7-sulfonyl chloride

1,3-benzoxazole-7-sulfonyl chloride (PubChem CID 83821826) has the molecular formula C7H4ClNO3S and a molecular weight of 217.63 g/mol. Its IUPAC name is 1,3-benzoxazole-7-sulfonyl chloride.

Molecular Properties

Compound Name1,3-benzoxazole-7-sulfonyl chloride
PubChem CID83821826
Molecular FormulaC7H4ClNO3S
Molecular Weight217.63 g/mol
Exact Mass216.96
IUPAC Name1,3-benzoxazole-7-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cccc2ncoc12
InChIInChI=1S/C7H4ClNO3S/c8-13(10,11)6-3-1-2-5-7(6)12-4-9-5/h1-4H
InChIKeyUMTOBARUDRSVJT-UHFFFAOYSA-N
XLogP1.76
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.63
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-benzoxazole-7-sulfonyl chloride?
The IUPAC name of 1,3-benzoxazole-7-sulfonyl chloride (CID 83821826) is 1,3-benzoxazole-7-sulfonyl chloride.
What is the SMILES notation for 1,3-benzoxazole-7-sulfonyl chloride?
The canonical SMILES for 1,3-benzoxazole-7-sulfonyl chloride is O=S(=O)(Cl)c1cccc2ncoc12.
What is the InChIKey of 1,3-benzoxazole-7-sulfonyl chloride?
The InChIKey is UMTOBARUDRSVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClNO3S/c8-13(10,11)6-3-1-2-5-7(6)12-4-9-5/h1-4H.
What are the key properties of 1,3-benzoxazole-7-sulfonyl chloride?
1,3-benzoxazole-7-sulfonyl chloride has a molecular weight of 217.63 g/mol, XLogP of 1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzoxazole-7-sulfonyl chloride is sourced from PubChem (CID 83821826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).