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

C16H15F2NO3S — CID 2599902

IUPAC4-(difluoromethylsulfonyl)-N-(2,4-dimethylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)c(C)c1
InChIInChI=1S/C16H15F2NO3S/c1-10-3-8-14(11(2)9-10)19-15(20)12-4-6-13(7-5-12)23(21,22)16(17)18/h3-9,16H,1-2H3,(H,19,20)
InChIKeyQIDUWIRUBDJFQS-UHFFFAOYSA-N
MW339.36 g/mol
LogP3.55
Rot. Bonds4

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

4-(difluoromethylsulfonyl)-N-(2,4-dimethylphenyl)benzamide (PubChem CID 2599902) has the molecular formula C16H15F2NO3S and a molecular weight of 339.36 g/mol. Its IUPAC name is 4-(difluoromethylsulfonyl)-N-(2,4-dimethylphenyl)benzamide.

Molecular Properties

Compound Name4-(difluoromethylsulfonyl)-N-(2,4-dimethylphenyl)benzamide
PubChem CID2599902
Molecular FormulaC16H15F2NO3S
Molecular Weight339.36 g/mol
Exact Mass339.07
IUPAC Name4-(difluoromethylsulfonyl)-N-(2,4-dimethylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)c(C)c1
InChIInChI=1S/C16H15F2NO3S/c1-10-3-8-14(11(2)9-10)19-15(20)12-4-6-13(7-5-12)23(21,22)16(17)18/h3-9,16H,1-2H3,(H,19,20)
InChIKeyQIDUWIRUBDJFQS-UHFFFAOYSA-N
XLogP3.55
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylsulfonyl)-N-(2,4-dimethylphenyl)benzamide?
The IUPAC name of 4-(difluoromethylsulfonyl)-N-(2,4-dimethylphenyl)benzamide (CID 2599902) is 4-(difluoromethylsulfonyl)-N-(2,4-dimethylphenyl)benzamide.
What is the SMILES notation for 4-(difluoromethylsulfonyl)-N-(2,4-dimethylphenyl)benzamide?
The canonical SMILES for 4-(difluoromethylsulfonyl)-N-(2,4-dimethylphenyl)benzamide is Cc1ccc(NC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)c(C)c1.
What is the InChIKey of 4-(difluoromethylsulfonyl)-N-(2,4-dimethylphenyl)benzamide?
The InChIKey is QIDUWIRUBDJFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO3S/c1-10-3-8-14(11(2)9-10)19-15(20)12-4-6-13(7-5-12)23(21,22)16(17)18/h3-9,16H,1-2H3,(H,19,20).
What are the key properties of 4-(difluoromethylsulfonyl)-N-(2,4-dimethylphenyl)benzamide?
4-(difluoromethylsulfonyl)-N-(2,4-dimethylphenyl)benzamide has a molecular weight of 339.36 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylsulfonyl)-N-(2,4-dimethylphenyl)benzamide is sourced from PubChem (CID 2599902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).