5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonyl chloride

C10H8ClFN2O4S — CID 107914987

IUPAC5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonyl chloride
SMILESCc1nnc(COc2ccc(F)cc2S(=O)(=O)Cl)o1
InChIInChI=1S/C10H8ClFN2O4S/c1-6-13-14-10(18-6)5-17-8-3-2-7(12)4-9(8)19(11,15)16/h2-4H,5H2,1H3
InChIKeyCNIDKOWSXOLSCC-UHFFFAOYSA-N
MW306.70 g/mol
LogP2.02
Rot. Bonds4

About 5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonyl chloride

5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonyl chloride (PubChem CID 107914987) has the molecular formula C10H8ClFN2O4S and a molecular weight of 306.70 g/mol. Its IUPAC name is 5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonyl chloride.

Molecular Properties

Compound Name5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonyl chloride
PubChem CID107914987
Molecular FormulaC10H8ClFN2O4S
Molecular Weight306.70 g/mol
Exact Mass305.99
IUPAC Name5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonyl chloride
SMILESCc1nnc(COc2ccc(F)cc2S(=O)(=O)Cl)o1
InChIInChI=1S/C10H8ClFN2O4S/c1-6-13-14-10(18-6)5-17-8-3-2-7(12)4-9(8)19(11,15)16/h2-4H,5H2,1H3
InChIKeyCNIDKOWSXOLSCC-UHFFFAOYSA-N
XLogP2.02
TPSA82.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.70
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonyl chloride?
The IUPAC name of 5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonyl chloride (CID 107914987) is 5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonyl chloride.
What is the SMILES notation for 5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonyl chloride?
The canonical SMILES for 5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonyl chloride is Cc1nnc(COc2ccc(F)cc2S(=O)(=O)Cl)o1.
What is the InChIKey of 5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonyl chloride?
The InChIKey is CNIDKOWSXOLSCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN2O4S/c1-6-13-14-10(18-6)5-17-8-3-2-7(12)4-9(8)19(11,15)16/h2-4H,5H2,1H3.
What are the key properties of 5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonyl chloride?
5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonyl chloride has a molecular weight of 306.70 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonyl chloride is sourced from PubChem (CID 107914987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).