4-(difluoromethylsulfonyl)-N-(2,4-dimethoxyphenyl)benzamide

C16H15F2NO5S — CID 2713371

IUPAC4-(difluoromethylsulfonyl)-N-(2,4-dimethoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)c(OC)c1
InChIInChI=1S/C16H15F2NO5S/c1-23-11-5-8-13(14(9-11)24-2)19-15(20)10-3-6-12(7-4-10)25(21,22)16(17)18/h3-9,16H,1-2H3,(H,19,20)
InChIKeyUAINJHLZHAAFJQ-UHFFFAOYSA-N
MW371.36 g/mol
LogP2.95
Rot. Bonds6

About 4-(difluoromethylsulfonyl)-N-(2,4-dimethoxyphenyl)benzamide

4-(difluoromethylsulfonyl)-N-(2,4-dimethoxyphenyl)benzamide (PubChem CID 2713371) has the molecular formula C16H15F2NO5S and a molecular weight of 371.36 g/mol. Its IUPAC name is 4-(difluoromethylsulfonyl)-N-(2,4-dimethoxyphenyl)benzamide.

Molecular Properties

Compound Name4-(difluoromethylsulfonyl)-N-(2,4-dimethoxyphenyl)benzamide
PubChem CID2713371
Molecular FormulaC16H15F2NO5S
Molecular Weight371.36 g/mol
Exact Mass371.06
IUPAC Name4-(difluoromethylsulfonyl)-N-(2,4-dimethoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)c(OC)c1
InChIInChI=1S/C16H15F2NO5S/c1-23-11-5-8-13(14(9-11)24-2)19-15(20)10-3-6-12(7-4-10)25(21,22)16(17)18/h3-9,16H,1-2H3,(H,19,20)
InChIKeyUAINJHLZHAAFJQ-UHFFFAOYSA-N
XLogP2.95
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.36
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylsulfonyl)-N-(2,4-dimethoxyphenyl)benzamide?
The IUPAC name of 4-(difluoromethylsulfonyl)-N-(2,4-dimethoxyphenyl)benzamide (CID 2713371) is 4-(difluoromethylsulfonyl)-N-(2,4-dimethoxyphenyl)benzamide.
What is the SMILES notation for 4-(difluoromethylsulfonyl)-N-(2,4-dimethoxyphenyl)benzamide?
The canonical SMILES for 4-(difluoromethylsulfonyl)-N-(2,4-dimethoxyphenyl)benzamide is COc1ccc(NC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)c(OC)c1.
What is the InChIKey of 4-(difluoromethylsulfonyl)-N-(2,4-dimethoxyphenyl)benzamide?
The InChIKey is UAINJHLZHAAFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO5S/c1-23-11-5-8-13(14(9-11)24-2)19-15(20)10-3-6-12(7-4-10)25(21,22)16(17)18/h3-9,16H,1-2H3,(H,19,20).
What are the key properties of 4-(difluoromethylsulfonyl)-N-(2,4-dimethoxyphenyl)benzamide?
4-(difluoromethylsulfonyl)-N-(2,4-dimethoxyphenyl)benzamide has a molecular weight of 371.36 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylsulfonyl)-N-(2,4-dimethoxyphenyl)benzamide is sourced from PubChem (CID 2713371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).