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

C10H7ClF2N2O4S — CID 107914991

IUPAC3,5-difluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonyl chloride
SMILESCc1nnc(COc2c(F)cc(F)cc2S(=O)(=O)Cl)o1
InChIInChI=1S/C10H7ClF2N2O4S/c1-5-14-15-9(19-5)4-18-10-7(13)2-6(12)3-8(10)20(11,16)17/h2-3H,4H2,1H3
InChIKeyUDLPUCGUEBLKRZ-UHFFFAOYSA-N
MW324.69 g/mol
LogP2.16
Rot. Bonds4

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

3,5-difluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonyl chloride (PubChem CID 107914991) has the molecular formula C10H7ClF2N2O4S and a molecular weight of 324.69 g/mol. Its IUPAC name is 3,5-difluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonyl chloride.

Molecular Properties

Compound Name3,5-difluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonyl chloride
PubChem CID107914991
Molecular FormulaC10H7ClF2N2O4S
Molecular Weight324.69 g/mol
Exact Mass323.98
IUPAC Name3,5-difluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonyl chloride
SMILESCc1nnc(COc2c(F)cc(F)cc2S(=O)(=O)Cl)o1
InChIInChI=1S/C10H7ClF2N2O4S/c1-5-14-15-9(19-5)4-18-10-7(13)2-6(12)3-8(10)20(11,16)17/h2-3H,4H2,1H3
InChIKeyUDLPUCGUEBLKRZ-UHFFFAOYSA-N
XLogP2.16
TPSA82.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.69
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonyl chloride?
The IUPAC name of 3,5-difluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonyl chloride (CID 107914991) is 3,5-difluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonyl chloride.
What is the SMILES notation for 3,5-difluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonyl chloride?
The canonical SMILES for 3,5-difluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonyl chloride is Cc1nnc(COc2c(F)cc(F)cc2S(=O)(=O)Cl)o1.
What is the InChIKey of 3,5-difluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonyl chloride?
The InChIKey is UDLPUCGUEBLKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClF2N2O4S/c1-5-14-15-9(19-5)4-18-10-7(13)2-6(12)3-8(10)20(11,16)17/h2-3H,4H2,1H3.
What are the key properties of 3,5-difluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonyl chloride?
3,5-difluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonyl chloride has a molecular weight of 324.69 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonyl chloride is sourced from PubChem (CID 107914991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).