1-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-4-(methoxymethyl)benzene

C15H14F2O3S2 — CID 133428577

IUPAC1-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-4-(methoxymethyl)benzene
SMILESCOCc1ccc(Sc2ccc(S(=O)(=O)C(F)F)cc2)cc1
InChIInChI=1S/C15H14F2O3S2/c1-20-10-11-2-4-12(5-3-11)21-13-6-8-14(9-7-13)22(18,19)15(16)17/h2-9,15H,10H2,1H3
InChIKeyKCILDVYNUQPVMG-UHFFFAOYSA-N
MW344.40 g/mol
LogP3.98
Rot. Bonds6

About 1-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-4-(methoxymethyl)benzene

1-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-4-(methoxymethyl)benzene (PubChem CID 133428577) has the molecular formula C15H14F2O3S2 and a molecular weight of 344.40 g/mol. Its IUPAC name is 1-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-4-(methoxymethyl)benzene.

Molecular Properties

Compound Name1-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-4-(methoxymethyl)benzene
PubChem CID133428577
Molecular FormulaC15H14F2O3S2
Molecular Weight344.40 g/mol
Exact Mass344.04
IUPAC Name1-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-4-(methoxymethyl)benzene
SMILESCOCc1ccc(Sc2ccc(S(=O)(=O)C(F)F)cc2)cc1
InChIInChI=1S/C15H14F2O3S2/c1-20-10-11-2-4-12(5-3-11)21-13-6-8-14(9-7-13)22(18,19)15(16)17/h2-9,15H,10H2,1H3
InChIKeyKCILDVYNUQPVMG-UHFFFAOYSA-N
XLogP3.98
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(methoxymethyl)-4-phenylsulfanylbenzene
CID 174608576
CID 162598602
CID 162598602
1-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-2-fluorobenzene
CID 133425004
2-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-4-methyl-1,3-thiazole
CID 133424793
2-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-N,N-dimethylethanamine
CID 133429859
1-(methoxymethyl)-4-propan-2-ylsulfanylbenzene
CID 116932253
3-[4-(difluoromethylsulfonyl)phenyl]sulfanylbutan-2-ol
CID 113347581
N-[4-(difluoromethylsulfonyl)phenyl]-4-methylsulfanylaniline
CID 133426455
4-[[4-(difluoromethylsulfonyl)phenyl]methoxy]-N,N-dimethylbenzamide
CID 78880908
1-(difluoromethylsulfonyl)-4-methylbenzene;fluoromethane
CID 143485097
N-[[4-(difluoromethylsulfonyl)phenyl]methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 112820223
1-[[4-(difluoromethylsulfonyl)phenyl]methylsulfonyl]propan-2-ol
CID 167908895

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-4-(methoxymethyl)benzene?
The IUPAC name of 1-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-4-(methoxymethyl)benzene (CID 133428577) is 1-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-4-(methoxymethyl)benzene.
What is the SMILES notation for 1-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-4-(methoxymethyl)benzene?
The canonical SMILES for 1-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-4-(methoxymethyl)benzene is COCc1ccc(Sc2ccc(S(=O)(=O)C(F)F)cc2)cc1.
What is the InChIKey of 1-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-4-(methoxymethyl)benzene?
The InChIKey is KCILDVYNUQPVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2O3S2/c1-20-10-11-2-4-12(5-3-11)21-13-6-8-14(9-7-13)22(18,19)15(16)17/h2-9,15H,10H2,1H3.
What are the key properties of 1-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-4-(methoxymethyl)benzene?
1-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-4-(methoxymethyl)benzene has a molecular weight of 344.40 g/mol, XLogP of 3.98, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-4-(methoxymethyl)benzene is sourced from PubChem (CID 133428577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).