4-[(4-fluorophenyl)methoxy]-2,5-dimethylbenzenesulfonyl chloride

C15H14ClFO3S — CID 43134393

IUPAC4-[(4-fluorophenyl)methoxy]-2,5-dimethylbenzenesulfonyl chloride
SMILESCc1cc(S(=O)(=O)Cl)c(C)cc1OCc1ccc(F)cc1
InChIInChI=1S/C15H14ClFO3S/c1-10-8-15(21(16,18)19)11(2)7-14(10)20-9-12-3-5-13(17)6-4-12/h3-8H,9H2,1-2H3
InChIKeyRWFBDPDDUQONGZ-UHFFFAOYSA-N
MW328.79 g/mol
LogP3.95
Rot. Bonds4

About 4-[(4-fluorophenyl)methoxy]-2,5-dimethylbenzenesulfonyl chloride

4-[(4-fluorophenyl)methoxy]-2,5-dimethylbenzenesulfonyl chloride (PubChem CID 43134393) has the molecular formula C15H14ClFO3S and a molecular weight of 328.79 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methoxy]-2,5-dimethylbenzenesulfonyl chloride.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methoxy]-2,5-dimethylbenzenesulfonyl chloride
PubChem CID43134393
Molecular FormulaC15H14ClFO3S
Molecular Weight328.79 g/mol
Exact Mass328.03
IUPAC Name4-[(4-fluorophenyl)methoxy]-2,5-dimethylbenzenesulfonyl chloride
SMILESCc1cc(S(=O)(=O)Cl)c(C)cc1OCc1ccc(F)cc1
InChIInChI=1S/C15H14ClFO3S/c1-10-8-15(21(16,18)19)11(2)7-14(10)20-9-12-3-5-13(17)6-4-12/h3-8H,9H2,1-2H3
InChIKeyRWFBDPDDUQONGZ-UHFFFAOYSA-N
XLogP3.95
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.79
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-cyanophenyl)methoxy]-5-fluorobenzenesulfonyl chloride
CID 82911140
2,5-dimethyl-4-pentoxybenzenesulfonyl chloride
CID 43134383
4-(3,3-dimethylbutoxy)-2,5-dimethylbenzenesulfonyl chloride
CID 61481541
4-(3-methoxypropoxy)-2,5-dimethylbenzenesulfonyl chloride
CID 60925970
4-heptoxy-2,5-dimethylbenzenesulfonyl chloride
CID 43247011
2,5-dimethyl-4-octoxybenzenesulfonyl chloride
CID 43134384
4-but-3-ynoxy-2,5-dimethylbenzenesulfonyl chloride
CID 82910392
2,5-dimethyl-4-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride
CID 82912749
2-[4-[(4-fluorophenyl)methoxy]-3-methylphenyl]acetic acid
CID 82051629
2,5-dimethyl-4-pent-4-enoxybenzenesulfonyl chloride
CID 82910218
2-[(3-chloro-4-fluorophenyl)methoxy]-5-fluorobenzenesulfonyl chloride
CID 103037941
1,2-difluoro-4-[(4-iodophenyl)methoxy]-5-methylbenzene
CID 114276771

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methoxy]-2,5-dimethylbenzenesulfonyl chloride?
The IUPAC name of 4-[(4-fluorophenyl)methoxy]-2,5-dimethylbenzenesulfonyl chloride (CID 43134393) is 4-[(4-fluorophenyl)methoxy]-2,5-dimethylbenzenesulfonyl chloride.
What is the SMILES notation for 4-[(4-fluorophenyl)methoxy]-2,5-dimethylbenzenesulfonyl chloride?
The canonical SMILES for 4-[(4-fluorophenyl)methoxy]-2,5-dimethylbenzenesulfonyl chloride is Cc1cc(S(=O)(=O)Cl)c(C)cc1OCc1ccc(F)cc1.
What is the InChIKey of 4-[(4-fluorophenyl)methoxy]-2,5-dimethylbenzenesulfonyl chloride?
The InChIKey is RWFBDPDDUQONGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFO3S/c1-10-8-15(21(16,18)19)11(2)7-14(10)20-9-12-3-5-13(17)6-4-12/h3-8H,9H2,1-2H3.
What are the key properties of 4-[(4-fluorophenyl)methoxy]-2,5-dimethylbenzenesulfonyl chloride?
4-[(4-fluorophenyl)methoxy]-2,5-dimethylbenzenesulfonyl chloride has a molecular weight of 328.79 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methoxy]-2,5-dimethylbenzenesulfonyl chloride is sourced from PubChem (CID 43134393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).