N,N-bis[(2,4-dimethoxyphenyl)methyl]-1-fluoroethanesulfonamide

C20H26FNO6S — CID 86013034

IUPACN,N-bis[(2,4-dimethoxyphenyl)methyl]-1-fluoroethanesulfonamide
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2OC)S(=O)(=O)C(C)F)c(OC)c1
InChIInChI=1S/C20H26FNO6S/c1-14(21)29(23,24)22(12-15-6-8-17(25-2)10-19(15)27-4)13-16-7-9-18(26-3)11-20(16)28-5/h6-11,14H,12-13H2,1-5H3
InChIKeyRELYGKCLMLLMMB-UHFFFAOYSA-N
MW427.49 g/mol
LogP3.37
Rot. Bonds10

About N,N-bis[(2,4-dimethoxyphenyl)methyl]-1-fluoroethanesulfonamide

N,N-bis[(2,4-dimethoxyphenyl)methyl]-1-fluoroethanesulfonamide (PubChem CID 86013034) has the molecular formula C20H26FNO6S and a molecular weight of 427.49 g/mol. Its IUPAC name is N,N-bis[(2,4-dimethoxyphenyl)methyl]-1-fluoroethanesulfonamide.

Molecular Properties

Compound NameN,N-bis[(2,4-dimethoxyphenyl)methyl]-1-fluoroethanesulfonamide
PubChem CID86013034
Molecular FormulaC20H26FNO6S
Molecular Weight427.49 g/mol
Exact Mass427.15
IUPAC NameN,N-bis[(2,4-dimethoxyphenyl)methyl]-1-fluoroethanesulfonamide
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2OC)S(=O)(=O)C(C)F)c(OC)c1
InChIInChI=1S/C20H26FNO6S/c1-14(21)29(23,24)22(12-15-6-8-17(25-2)10-19(15)27-4)13-16-7-9-18(26-3)11-20(16)28-5/h6-11,14H,12-13H2,1-5H3
InChIKeyRELYGKCLMLLMMB-UHFFFAOYSA-N
XLogP3.37
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.49
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-bis[(2,4-dimethoxyphenyl)methyl]-1-fluoroethanesulfonamide?
The IUPAC name of N,N-bis[(2,4-dimethoxyphenyl)methyl]-1-fluoroethanesulfonamide (CID 86013034) is N,N-bis[(2,4-dimethoxyphenyl)methyl]-1-fluoroethanesulfonamide.
What is the SMILES notation for N,N-bis[(2,4-dimethoxyphenyl)methyl]-1-fluoroethanesulfonamide?
The canonical SMILES for N,N-bis[(2,4-dimethoxyphenyl)methyl]-1-fluoroethanesulfonamide is COc1ccc(CN(Cc2ccc(OC)cc2OC)S(=O)(=O)C(C)F)c(OC)c1.
What is the InChIKey of N,N-bis[(2,4-dimethoxyphenyl)methyl]-1-fluoroethanesulfonamide?
The InChIKey is RELYGKCLMLLMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FNO6S/c1-14(21)29(23,24)22(12-15-6-8-17(25-2)10-19(15)27-4)13-16-7-9-18(26-3)11-20(16)28-5/h6-11,14H,12-13H2,1-5H3.
What are the key properties of N,N-bis[(2,4-dimethoxyphenyl)methyl]-1-fluoroethanesulfonamide?
N,N-bis[(2,4-dimethoxyphenyl)methyl]-1-fluoroethanesulfonamide has a molecular weight of 427.49 g/mol, XLogP of 3.37, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[(2,4-dimethoxyphenyl)methyl]-1-fluoroethanesulfonamide is sourced from PubChem (CID 86013034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).