4-(difluoromethylsulfonyl)-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide

C18H19F2NO6S — CID 8511792

IUPAC4-(difluoromethylsulfonyl)-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide
SMILESCOc1cc(OC)c(OC)cc1CNC(=O)c1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C18H19F2NO6S/c1-25-14-9-16(27-3)15(26-2)8-12(14)10-21-17(22)11-4-6-13(7-5-11)28(23,24)18(19)20/h4-9,18H,10H2,1-3H3,(H,21,22)
InChIKeyRAKKDCKXWUQHGB-UHFFFAOYSA-N
MW415.41 g/mol
LogP2.64
Rot. Bonds8

About 4-(difluoromethylsulfonyl)-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide

4-(difluoromethylsulfonyl)-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide (PubChem CID 8511792) has the molecular formula C18H19F2NO6S and a molecular weight of 415.41 g/mol. Its IUPAC name is 4-(difluoromethylsulfonyl)-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-(difluoromethylsulfonyl)-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide
PubChem CID8511792
Molecular FormulaC18H19F2NO6S
Molecular Weight415.41 g/mol
Exact Mass415.09
IUPAC Name4-(difluoromethylsulfonyl)-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide
SMILESCOc1cc(OC)c(OC)cc1CNC(=O)c1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C18H19F2NO6S/c1-25-14-9-16(27-3)15(26-2)8-12(14)10-21-17(22)11-4-6-13(7-5-11)28(23,24)18(19)20/h4-9,18H,10H2,1-3H3,(H,21,22)
InChIKeyRAKKDCKXWUQHGB-UHFFFAOYSA-N
XLogP2.64
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.41
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(difluoromethylsulfonyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 9050026
4-(difluoromethylsulfonyl)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]benzamide
CID 55584493
3,5-bis(trifluoromethyl)-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide
CID 18286098
4-(difluoromethylsulfonyl)-N-[(4-methylphenyl)methyl]benzamide
CID 2671565
4-(difluoromethylsulfonyl)-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]benzamide
CID 55694979
2,2-difluoro-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 103602966
methyl 4-[[4-(difluoromethylsulfonyl)benzoyl]amino]butanoate
CID 9404633
4-(difluoromethylsulfonyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 25402418
4-(difluoromethylsulfonyl)benzohydrazide
CID 703325
1-N,4-N-bis[(2,5-dimethoxyphenyl)methyl]benzene-1,4-dicarboxamide
CID 46542093
4-(difluoromethylsulfonyl)-N'-[2-(2-methoxyphenoxy)acetyl]benzohydrazide
CID 8696693
2-(difluoromethylsulfanyl)-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide
CID 18196193

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylsulfonyl)-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide?
The IUPAC name of 4-(difluoromethylsulfonyl)-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide (CID 8511792) is 4-(difluoromethylsulfonyl)-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide.
What is the SMILES notation for 4-(difluoromethylsulfonyl)-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide?
The canonical SMILES for 4-(difluoromethylsulfonyl)-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide is COc1cc(OC)c(OC)cc1CNC(=O)c1ccc(S(=O)(=O)C(F)F)cc1.
What is the InChIKey of 4-(difluoromethylsulfonyl)-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide?
The InChIKey is RAKKDCKXWUQHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2NO6S/c1-25-14-9-16(27-3)15(26-2)8-12(14)10-21-17(22)11-4-6-13(7-5-11)28(23,24)18(19)20/h4-9,18H,10H2,1-3H3,(H,21,22).
What are the key properties of 4-(difluoromethylsulfonyl)-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide?
4-(difluoromethylsulfonyl)-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide has a molecular weight of 415.41 g/mol, XLogP of 2.64, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylsulfonyl)-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide is sourced from PubChem (CID 8511792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).