1-[benzenesulfonyl(difluoro)methyl]sulfanyl-2,4-dimethoxybenzene

C15H14F2O4S2 — CID 132838821

IUPAC1-[benzenesulfonyl(difluoro)methyl]sulfanyl-2,4-dimethoxybenzene
SMILESCOc1ccc(SC(F)(F)S(=O)(=O)c2ccccc2)c(OC)c1
InChIInChI=1S/C15H14F2O4S2/c1-20-11-8-9-14(13(10-11)21-2)22-15(16,17)23(18,19)12-6-4-3-5-7-12/h3-10H,1-2H3
InChIKeyFDRGSPZZNNUMAJ-UHFFFAOYSA-N
MW360.40 g/mol
LogP3.82
Rot. Bonds6

About 1-[benzenesulfonyl(difluoro)methyl]sulfanyl-2,4-dimethoxybenzene

1-[benzenesulfonyl(difluoro)methyl]sulfanyl-2,4-dimethoxybenzene (PubChem CID 132838821) has the molecular formula C15H14F2O4S2 and a molecular weight of 360.40 g/mol. Its IUPAC name is 1-[benzenesulfonyl(difluoro)methyl]sulfanyl-2,4-dimethoxybenzene.

Molecular Properties

Compound Name1-[benzenesulfonyl(difluoro)methyl]sulfanyl-2,4-dimethoxybenzene
PubChem CID132838821
Molecular FormulaC15H14F2O4S2
Molecular Weight360.40 g/mol
Exact Mass360.03
IUPAC Name1-[benzenesulfonyl(difluoro)methyl]sulfanyl-2,4-dimethoxybenzene
SMILESCOc1ccc(SC(F)(F)S(=O)(=O)c2ccccc2)c(OC)c1
InChIInChI=1S/C15H14F2O4S2/c1-20-11-8-9-14(13(10-11)21-2)22-15(16,17)23(18,19)12-6-4-3-5-7-12/h3-10H,1-2H3
InChIKeyFDRGSPZZNNUMAJ-UHFFFAOYSA-N
XLogP3.82
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.40
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(difluoromethylsulfanyl)-2,4-dimethoxybenzene
CID 82079729
2-(benzenesulfonyl)-1-(3-bromo-4-methoxyphenyl)-2,2-difluoroethanamine;hydrochloride
CID 166525812
N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]benzenesulfonamide
CID 6908544
S-(2,4-dimethoxyphenyl) ethanethioate
CID 91656983
2-(2,4-dimethoxyphenyl)sulfonylpropan-2-ol
CID 117037282
3-(2,4-dimethoxyphenyl)sulfanylbutanoic acid
CID 117033490
4-(benzenesulfonyl)-4-fluoro-1-(4-methoxyphenyl)-4-nitro-3-phenylbutan-1-one
CID 102284539
4-(benzenesulfonyl)-4-fluoro-3-(4-methoxyphenyl)-4-nitro-1-phenylbutan-1-one
CID 102284536
(2R)-2-amino-1-(2,4-dimethoxyphenyl)-2-phenylethanone
CID 104890975
2-[(E)-2-(benzenesulfonyl)-2-chloroethenyl]-1,3,5-trimethoxybenzene
CID 42604348
1-[benzenesulfonyl(phenyl)methyl]-4-methoxybenzene
CID 101481324
bis(2,4-dimethoxyphenyl)-phenylmethanol
CID 10833633

Frequently Asked Questions

What is the IUPAC name of 1-[benzenesulfonyl(difluoro)methyl]sulfanyl-2,4-dimethoxybenzene?
The IUPAC name of 1-[benzenesulfonyl(difluoro)methyl]sulfanyl-2,4-dimethoxybenzene (CID 132838821) is 1-[benzenesulfonyl(difluoro)methyl]sulfanyl-2,4-dimethoxybenzene.
What is the SMILES notation for 1-[benzenesulfonyl(difluoro)methyl]sulfanyl-2,4-dimethoxybenzene?
The canonical SMILES for 1-[benzenesulfonyl(difluoro)methyl]sulfanyl-2,4-dimethoxybenzene is COc1ccc(SC(F)(F)S(=O)(=O)c2ccccc2)c(OC)c1.
What is the InChIKey of 1-[benzenesulfonyl(difluoro)methyl]sulfanyl-2,4-dimethoxybenzene?
The InChIKey is FDRGSPZZNNUMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2O4S2/c1-20-11-8-9-14(13(10-11)21-2)22-15(16,17)23(18,19)12-6-4-3-5-7-12/h3-10H,1-2H3.
What are the key properties of 1-[benzenesulfonyl(difluoro)methyl]sulfanyl-2,4-dimethoxybenzene?
1-[benzenesulfonyl(difluoro)methyl]sulfanyl-2,4-dimethoxybenzene has a molecular weight of 360.40 g/mol, XLogP of 3.82, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[benzenesulfonyl(difluoro)methyl]sulfanyl-2,4-dimethoxybenzene is sourced from PubChem (CID 132838821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).