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

C9H8ClNO3S — CID 131279795

IUPAC5-ethyl-1,3-benzoxazole-2-sulfonyl chloride
SMILESCCc1ccc2oc(S(=O)(=O)Cl)nc2c1
InChIInChI=1S/C9H8ClNO3S/c1-2-6-3-4-8-7(5-6)11-9(14-8)15(10,12)13/h3-5H,2H2,1H3
InChIKeyXEHJHKAUXDLRGI-UHFFFAOYSA-N
MW245.69 g/mol
LogP2.32
Rot. Bonds2

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

5-ethyl-1,3-benzoxazole-2-sulfonyl chloride (PubChem CID 131279795) has the molecular formula C9H8ClNO3S and a molecular weight of 245.69 g/mol. Its IUPAC name is 5-ethyl-1,3-benzoxazole-2-sulfonyl chloride.

Molecular Properties

Compound Name5-ethyl-1,3-benzoxazole-2-sulfonyl chloride
PubChem CID131279795
Molecular FormulaC9H8ClNO3S
Molecular Weight245.69 g/mol
Exact Mass244.99
IUPAC Name5-ethyl-1,3-benzoxazole-2-sulfonyl chloride
SMILESCCc1ccc2oc(S(=O)(=O)Cl)nc2c1
InChIInChI=1S/C9H8ClNO3S/c1-2-6-3-4-8-7(5-6)11-9(14-8)15(10,12)13/h3-5H,2H2,1H3
InChIKeyXEHJHKAUXDLRGI-UHFFFAOYSA-N
XLogP2.32
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.69
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

carbon dioxide;5-ethyl-2-methyl-1,3-benzoxazole
CID 162219580
5-ethyl-N,N-dimethyl-1,3-benzoxazol-2-amine
CID 170202374
4-(5-ethyl-1,3-benzoxazol-2-yl)phenol
CID 136658114
2-ethyl-2-(5-ethyl-1,3-benzoxazol-2-yl)butan-1-amine
CID 115430668
4-(5-ethyl-1,3-benzoxazol-2-yl)-N,N-dimethylaniline
CID 91684357
3-(5-ethyl-1,3-benzoxazol-2-yl)propanoic acid
CID 79017178
6-formyl-1,3-benzoxazole-2-sulfonyl chloride
CID 131279799
2-(5-bromo-1-methylpyridin-1-ium-3-yl)-5-ethyl-1,3-benzoxazole
CID 100817823
2-(1-adamantyl)-5-ethyl-1,3-benzoxazole
CID 91679420
2-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenoxy]acetamide
CID 91678694
2,6-dibromo-4-(5-ethyl-1,3-benzoxazol-2-yl)phenol
CID 136658136
2-(2-ethyl-1,3-benzoxazol-5-yl)acetate
CID 6986797

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1,3-benzoxazole-2-sulfonyl chloride?
The IUPAC name of 5-ethyl-1,3-benzoxazole-2-sulfonyl chloride (CID 131279795) is 5-ethyl-1,3-benzoxazole-2-sulfonyl chloride.
What is the SMILES notation for 5-ethyl-1,3-benzoxazole-2-sulfonyl chloride?
The canonical SMILES for 5-ethyl-1,3-benzoxazole-2-sulfonyl chloride is CCc1ccc2oc(S(=O)(=O)Cl)nc2c1.
What is the InChIKey of 5-ethyl-1,3-benzoxazole-2-sulfonyl chloride?
The InChIKey is XEHJHKAUXDLRGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNO3S/c1-2-6-3-4-8-7(5-6)11-9(14-8)15(10,12)13/h3-5H,2H2,1H3.
What are the key properties of 5-ethyl-1,3-benzoxazole-2-sulfonyl chloride?
5-ethyl-1,3-benzoxazole-2-sulfonyl chloride has a molecular weight of 245.69 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1,3-benzoxazole-2-sulfonyl chloride is sourced from PubChem (CID 131279795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).