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

C11H11ClN2O4S — CID 82917403

IUPAC2-methyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]benzenesulfonyl chloride
SMILESCc1noc(COc2ccc(S(=O)(=O)Cl)c(C)c2)n1
InChIInChI=1S/C11H11ClN2O4S/c1-7-5-9(3-4-10(7)19(12,15)16)17-6-11-13-8(2)14-18-11/h3-5H,6H2,1-2H3
InChIKeyWPWMRTFPMCSGNH-UHFFFAOYSA-N
MW302.74 g/mol
LogP2.19
Rot. Bonds4

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

2-methyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]benzenesulfonyl chloride (PubChem CID 82917403) has the molecular formula C11H11ClN2O4S and a molecular weight of 302.74 g/mol. Its IUPAC name is 2-methyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]benzenesulfonyl chloride.

Molecular Properties

Compound Name2-methyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]benzenesulfonyl chloride
PubChem CID82917403
Molecular FormulaC11H11ClN2O4S
Molecular Weight302.74 g/mol
Exact Mass302.01
IUPAC Name2-methyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]benzenesulfonyl chloride
SMILESCc1noc(COc2ccc(S(=O)(=O)Cl)c(C)c2)n1
InChIInChI=1S/C11H11ClN2O4S/c1-7-5-9(3-4-10(7)19(12,15)16)17-6-11-13-8(2)14-18-11/h3-5H,6H2,1-2H3
InChIKeyWPWMRTFPMCSGNH-UHFFFAOYSA-N
XLogP2.19
TPSA82.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.74
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]benzenesulfonyl chloride
CID 82916377
4-[(2-chlorophenyl)methoxy]-2-methylbenzenesulfonyl chloride
CID 60725527
4-[(5-chloro-2-fluorophenyl)methoxy]-2-methylbenzenesulfonyl chloride
CID 103046517
4-(3-fluoropropoxy)-2-methylbenzenesulfonyl chloride
CID 81106046
[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-phenylmethanone
CID 18165734
4-[(2-cyano-4-pyridinyl)methoxy]-2-methylbenzenesulfonyl chloride
CID 82911501
3-methyl-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-oxadiazole
CID 60718376
4-[(E)-but-2-enoxy]-2-methylbenzenesulfonyl chloride
CID 82915922
4-[(3-chloro-2-fluorophenyl)methoxy]-2-methylbenzenesulfonyl chloride
CID 102855855
2-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanamine
CID 54931052
1-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol
CID 43503686
2-methyl-4-(4,4,4-trifluorobutoxy)benzenesulfonyl chloride
CID 113326282

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]benzenesulfonyl chloride?
The IUPAC name of 2-methyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]benzenesulfonyl chloride (CID 82917403) is 2-methyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]benzenesulfonyl chloride.
What is the SMILES notation for 2-methyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]benzenesulfonyl chloride?
The canonical SMILES for 2-methyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]benzenesulfonyl chloride is Cc1noc(COc2ccc(S(=O)(=O)Cl)c(C)c2)n1.
What is the InChIKey of 2-methyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]benzenesulfonyl chloride?
The InChIKey is WPWMRTFPMCSGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O4S/c1-7-5-9(3-4-10(7)19(12,15)16)17-6-11-13-8(2)14-18-11/h3-5H,6H2,1-2H3.
What are the key properties of 2-methyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]benzenesulfonyl chloride?
2-methyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]benzenesulfonyl chloride has a molecular weight of 302.74 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]benzenesulfonyl chloride is sourced from PubChem (CID 82917403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).