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

C10H8ClFN2O4S — CID 114015405

IUPAC3-fluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonyl chloride
SMILESCc1nnc(COc2ccc(S(=O)(=O)Cl)cc2F)o1
InChIInChI=1S/C10H8ClFN2O4S/c1-6-13-14-10(18-6)5-17-9-3-2-7(4-8(9)12)19(11,15)16/h2-4H,5H2,1H3
InChIKeyKNWXPILHZYDYDZ-UHFFFAOYSA-N
MW306.70 g/mol
LogP2.02
Rot. Bonds4

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

3-fluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonyl chloride (PubChem CID 114015405) has the molecular formula C10H8ClFN2O4S and a molecular weight of 306.70 g/mol. Its IUPAC name is 3-fluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonyl chloride.

Molecular Properties

Compound Name3-fluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonyl chloride
PubChem CID114015405
Molecular FormulaC10H8ClFN2O4S
Molecular Weight306.70 g/mol
Exact Mass305.99
IUPAC Name3-fluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonyl chloride
SMILESCc1nnc(COc2ccc(S(=O)(=O)Cl)cc2F)o1
InChIInChI=1S/C10H8ClFN2O4S/c1-6-13-14-10(18-6)5-17-9-3-2-7(4-8(9)12)19(11,15)16/h2-4H,5H2,1H3
InChIKeyKNWXPILHZYDYDZ-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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Related Compounds

2-Ethylsulfanyl-5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazole
CID 862314
2-[(4-Fluorophenoxy)methyl]-5-methylsulfanyl-1,3,4-oxadiazole
CID 862315
2-Ethylsulfanyl-5-[(2-fluorophenoxy)methyl]-1,3,4-oxadiazole
CID 126388910
2-[(2-Fluorophenoxy)methyl]-5-methylsulfanyl-1,3,4-oxadiazole
CID 141471099
2-[[5-[(4-Fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 862306
Ethyl 2-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
CID 862308
Methyl 2-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
CID 862309
Propan-2-yl 2-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
CID 862310
(2S)-2-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanoate
CID 7119988
(2R)-2-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanoate
CID 7119989
4-[2-[[5-[1-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethoxy]-N,N-dimethylbenzenesulfonamide
CID 17504750
4-[2-[[5-[(1R)-1-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethoxy]-N,N-dimethylbenzenesulfonamide
CID 25655451

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonyl chloride?
The IUPAC name of 3-fluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonyl chloride (CID 114015405) is 3-fluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonyl chloride.
What is the SMILES notation for 3-fluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonyl chloride?
The canonical SMILES for 3-fluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonyl chloride is Cc1nnc(COc2ccc(S(=O)(=O)Cl)cc2F)o1.
What is the InChIKey of 3-fluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonyl chloride?
The InChIKey is KNWXPILHZYDYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN2O4S/c1-6-13-14-10(18-6)5-17-9-3-2-7(4-8(9)12)19(11,15)16/h2-4H,5H2,1H3.
What are the key properties of 3-fluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonyl chloride?
3-fluoro-4-[(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 3-fluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonyl chloride is sourced from PubChem (CID 114015405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).