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

C10H7ClF2N2O4S — CID 114015408

IUPAC2,3-difluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonyl chloride
SMILESCc1nnc(COc2ccc(S(=O)(=O)Cl)c(F)c2F)o1
InChIInChI=1S/C10H7ClF2N2O4S/c1-5-14-15-8(19-5)4-18-6-2-3-7(20(11,16)17)10(13)9(6)12/h2-3H,4H2,1H3
InChIKeyYVXAHVSUEPZPIC-UHFFFAOYSA-N
MW324.69 g/mol
LogP2.16
Rot. Bonds4

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

2,3-difluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonyl chloride (PubChem CID 114015408) has the molecular formula C10H7ClF2N2O4S and a molecular weight of 324.69 g/mol. Its IUPAC name is 2,3-difluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonyl chloride.

Molecular Properties

Compound Name2,3-difluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonyl chloride
PubChem CID114015408
Molecular FormulaC10H7ClF2N2O4S
Molecular Weight324.69 g/mol
Exact Mass323.98
IUPAC Name2,3-difluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonyl chloride
SMILESCc1nnc(COc2ccc(S(=O)(=O)Cl)c(F)c2F)o1
InChIInChI=1S/C10H7ClF2N2O4S/c1-5-14-15-8(19-5)4-18-6-2-3-7(20(11,16)17)10(13)9(6)12/h2-3H,4H2,1H3
InChIKeyYVXAHVSUEPZPIC-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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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-[(2,4-Difluorophenoxy)methyl]-5-ethyl-1,3,4-oxadiazole
CID 53517063
2-Ethyl-5-[(2-fluorophenoxy)methyl]-1,3,4-oxadiazole
CID 53526829
2-[(2-Fluorophenoxy)methyl]-5-methyl-1,3,4-oxadiazole
CID 60627766
2-(4-Fluorophenoxymethyl)-5-methyl-1,3,4-oxadiazole
CID 60627929
2-[(3-Fluorophenoxy)methyl]-5-methyl-1,3,4-oxadiazole
CID 60627998
2-Ethyl-5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazole
CID 64294413
2-Ethyl-5-[(3-fluorophenoxy)methyl]-1,3,4-oxadiazole
CID 64763632
5-Fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonyl chloride
CID 107914987

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonyl chloride?
The IUPAC name of 2,3-difluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonyl chloride (CID 114015408) is 2,3-difluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonyl chloride.
What is the SMILES notation for 2,3-difluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonyl chloride?
The canonical SMILES for 2,3-difluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonyl chloride is Cc1nnc(COc2ccc(S(=O)(=O)Cl)c(F)c2F)o1.
What is the InChIKey of 2,3-difluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonyl chloride?
The InChIKey is YVXAHVSUEPZPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClF2N2O4S/c1-5-14-15-8(19-5)4-18-6-2-3-7(20(11,16)17)10(13)9(6)12/h2-3H,4H2,1H3.
What are the key properties of 2,3-difluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonyl chloride?
2,3-difluoro-4-[(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 2,3-difluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonyl chloride is sourced from PubChem (CID 114015408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).