4-(difluoromethylsulfonyl)-N-(1-phenylethyl)benzamide

C16H15F2NO3S — CID 4877182

IUPAC4-(difluoromethylsulfonyl)-N-(1-phenylethyl)benzamide
SMILESCC(NC(=O)c1ccc(S(=O)(=O)C(F)F)cc1)c1ccccc1
InChIInChI=1S/C16H15F2NO3S/c1-11(12-5-3-2-4-6-12)19-15(20)13-7-9-14(10-8-13)23(21,22)16(17)18/h2-11,16H,1H3,(H,19,20)
InChIKeyIKECCVIUKCJGEZ-UHFFFAOYSA-N
MW339.36 g/mol
LogP3.17
Rot. Bonds5

About 4-(difluoromethylsulfonyl)-N-(1-phenylethyl)benzamide

4-(difluoromethylsulfonyl)-N-(1-phenylethyl)benzamide (PubChem CID 4877182) has the molecular formula C16H15F2NO3S and a molecular weight of 339.36 g/mol. Its IUPAC name is 4-(difluoromethylsulfonyl)-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name4-(difluoromethylsulfonyl)-N-(1-phenylethyl)benzamide
PubChem CID4877182
Molecular FormulaC16H15F2NO3S
Molecular Weight339.36 g/mol
Exact Mass339.07
IUPAC Name4-(difluoromethylsulfonyl)-N-(1-phenylethyl)benzamide
SMILESCC(NC(=O)c1ccc(S(=O)(=O)C(F)F)cc1)c1ccccc1
InChIInChI=1S/C16H15F2NO3S/c1-11(12-5-3-2-4-6-12)19-15(20)13-7-9-14(10-8-13)23(21,22)16(17)18/h2-11,16H,1H3,(H,19,20)
InChIKeyIKECCVIUKCJGEZ-UHFFFAOYSA-N
XLogP3.17
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylsulfonyl)-N-(1-phenylethyl)benzamide?
The IUPAC name of 4-(difluoromethylsulfonyl)-N-(1-phenylethyl)benzamide (CID 4877182) is 4-(difluoromethylsulfonyl)-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 4-(difluoromethylsulfonyl)-N-(1-phenylethyl)benzamide?
The canonical SMILES for 4-(difluoromethylsulfonyl)-N-(1-phenylethyl)benzamide is CC(NC(=O)c1ccc(S(=O)(=O)C(F)F)cc1)c1ccccc1.
What is the InChIKey of 4-(difluoromethylsulfonyl)-N-(1-phenylethyl)benzamide?
The InChIKey is IKECCVIUKCJGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO3S/c1-11(12-5-3-2-4-6-12)19-15(20)13-7-9-14(10-8-13)23(21,22)16(17)18/h2-11,16H,1H3,(H,19,20).
What are the key properties of 4-(difluoromethylsulfonyl)-N-(1-phenylethyl)benzamide?
4-(difluoromethylsulfonyl)-N-(1-phenylethyl)benzamide has a molecular weight of 339.36 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylsulfonyl)-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 4877182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).