4-(difluoromethylsulfonyl)-N-(3-methylbutan-2-yl)benzamide

C13H17F2NO3S — CID 51153952

IUPAC4-(difluoromethylsulfonyl)-N-(3-methylbutan-2-yl)benzamide
SMILESCC(C)C(C)NC(=O)c1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C13H17F2NO3S/c1-8(2)9(3)16-12(17)10-4-6-11(7-5-10)20(18,19)13(14)15/h4-9,13H,1-3H3,(H,16,17)
InChIKeyLVEDOHXVISBIDT-UHFFFAOYSA-N
MW305.35 g/mol
LogP2.46
Rot. Bonds5

About 4-(difluoromethylsulfonyl)-N-(3-methylbutan-2-yl)benzamide

4-(difluoromethylsulfonyl)-N-(3-methylbutan-2-yl)benzamide (PubChem CID 51153952) has the molecular formula C13H17F2NO3S and a molecular weight of 305.35 g/mol. Its IUPAC name is 4-(difluoromethylsulfonyl)-N-(3-methylbutan-2-yl)benzamide.

Molecular Properties

Compound Name4-(difluoromethylsulfonyl)-N-(3-methylbutan-2-yl)benzamide
PubChem CID51153952
Molecular FormulaC13H17F2NO3S
Molecular Weight305.35 g/mol
Exact Mass305.09
IUPAC Name4-(difluoromethylsulfonyl)-N-(3-methylbutan-2-yl)benzamide
SMILESCC(C)C(C)NC(=O)c1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C13H17F2NO3S/c1-8(2)9(3)16-12(17)10-4-6-11(7-5-10)20(18,19)13(14)15/h4-9,13H,1-3H3,(H,16,17)
InChIKeyLVEDOHXVISBIDT-UHFFFAOYSA-N
XLogP2.46
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[4-(difluoromethylsulfonyl)benzoyl]-4-methylbenzohydrazide
CID 8913372
4-(difluoromethylsulfonyl)benzohydrazide
CID 703325
4-(difluoromethylsulfonyl)-N-[(1S)-1-(furan-2-yl)ethyl]benzamide
CID 8856828
4-(difluoromethylsulfonyl)-N-[(1S)-1-(3,4-difluorophenyl)ethyl]benzamide
CID 8795001
N-[(1S)-1-(1-adamantyl)ethyl]-4-(difluoromethylsulfonyl)benzamide
CID 7860707
4-acetyl-N-(3-methylbutan-2-yl)benzamide
CID 18712014
4-hydroxy-N-(3-methylbutan-2-yl)benzamide
CID 43084897
4-acetamido-N-[4-(difluoromethylsulfonyl)phenyl]benzamide
CID 26898710
4-bromo-N-[(2R)-3-methylbutan-2-yl]benzamide
CID 40522020
4-chloro-N-(3-methylbutan-2-yl)benzamide
CID 4263927
4-[(2-fluorophenyl)sulfamoyl]-N-(3-methylbutan-2-yl)benzamide
CID 46651101
4-(difluoromethylsulfonyl)-N-[(4-methylphenyl)methyl]benzamide
CID 2671565

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylsulfonyl)-N-(3-methylbutan-2-yl)benzamide?
The IUPAC name of 4-(difluoromethylsulfonyl)-N-(3-methylbutan-2-yl)benzamide (CID 51153952) is 4-(difluoromethylsulfonyl)-N-(3-methylbutan-2-yl)benzamide.
What is the SMILES notation for 4-(difluoromethylsulfonyl)-N-(3-methylbutan-2-yl)benzamide?
The canonical SMILES for 4-(difluoromethylsulfonyl)-N-(3-methylbutan-2-yl)benzamide is CC(C)C(C)NC(=O)c1ccc(S(=O)(=O)C(F)F)cc1.
What is the InChIKey of 4-(difluoromethylsulfonyl)-N-(3-methylbutan-2-yl)benzamide?
The InChIKey is LVEDOHXVISBIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO3S/c1-8(2)9(3)16-12(17)10-4-6-11(7-5-10)20(18,19)13(14)15/h4-9,13H,1-3H3,(H,16,17).
What are the key properties of 4-(difluoromethylsulfonyl)-N-(3-methylbutan-2-yl)benzamide?
4-(difluoromethylsulfonyl)-N-(3-methylbutan-2-yl)benzamide has a molecular weight of 305.35 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylsulfonyl)-N-(3-methylbutan-2-yl)benzamide is sourced from PubChem (CID 51153952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).