4-(difluoromethylsulfonyl)-N-[(1S)-1-(3,4-difluorophenyl)ethyl]benzamide

C16H13F4NO3S — CID 8795001

IUPAC4-(difluoromethylsulfonyl)-N-[(1S)-1-(3,4-difluorophenyl)ethyl]benzamide
SMILESC[C@H](NC(=O)c1ccc(S(=O)(=O)C(F)F)cc1)c1ccc(F)c(F)c1
InChIInChI=1S/C16H13F4NO3S/c1-9(11-4-7-13(17)14(18)8-11)21-15(22)10-2-5-12(6-3-10)25(23,24)16(19)20/h2-9,16H,1H3,(H,21,22)/t9-/m0/s1
InChIKeyRXHMGSPXUSBMAK-VIFPVBQESA-N
MW375.34 g/mol
LogP3.45
Rot. Bonds5

About 4-(difluoromethylsulfonyl)-N-[(1S)-1-(3,4-difluorophenyl)ethyl]benzamide

4-(difluoromethylsulfonyl)-N-[(1S)-1-(3,4-difluorophenyl)ethyl]benzamide (PubChem CID 8795001) has the molecular formula C16H13F4NO3S and a molecular weight of 375.34 g/mol. Its IUPAC name is 4-(difluoromethylsulfonyl)-N-[(1S)-1-(3,4-difluorophenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-(difluoromethylsulfonyl)-N-[(1S)-1-(3,4-difluorophenyl)ethyl]benzamide
PubChem CID8795001
Molecular FormulaC16H13F4NO3S
Molecular Weight375.34 g/mol
Exact Mass375.06
IUPAC Name4-(difluoromethylsulfonyl)-N-[(1S)-1-(3,4-difluorophenyl)ethyl]benzamide
SMILESC[C@H](NC(=O)c1ccc(S(=O)(=O)C(F)F)cc1)c1ccc(F)c(F)c1
InChIInChI=1S/C16H13F4NO3S/c1-9(11-4-7-13(17)14(18)8-11)21-15(22)10-2-5-12(6-3-10)25(23,24)16(19)20/h2-9,16H,1H3,(H,21,22)/t9-/m0/s1
InChIKeyRXHMGSPXUSBMAK-VIFPVBQESA-N
XLogP3.45
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.34
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3,4-difluorophenyl)ethyl]-4-fluoro-3-methylbenzamide
CID 63213221
4-(chloromethyl)-N-[1-(3,4-difluorophenyl)ethyl]benzamide
CID 43697335
4-(2-cyanoethylsulfamoyl)-N-[1-(3,4-difluorophenyl)ethyl]benzamide
CID 78804741
4-(difluoromethylsulfonyl)-N-(3-methylbutan-2-yl)benzamide
CID 51153952
4-chloro-N-[1-(3,4-difluorophenyl)ethyl]-3-methylsulfonylbenzamide
CID 51150850
4-(difluoromethylsulfonyl)-N-[(1S)-1-(furan-2-yl)ethyl]benzamide
CID 8856828
N-[1-(3,4-difluorophenyl)ethyl]furan-3-carboxamide
CID 51265265
N-[2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-2-oxoethyl]-4-fluorobenzamide
CID 41176986
4-chloro-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide
CID 9051353
4-(difluoromethylsulfonyl)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]benzamide
CID 9194269
N-[(1S)-1-(3,4-difluorophenyl)ethyl]-4-(piperidin-1-ylmethyl)benzamide
CID 25493079
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-(methylsulfamoyl)benzamide
CID 51537719

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylsulfonyl)-N-[(1S)-1-(3,4-difluorophenyl)ethyl]benzamide?
The IUPAC name of 4-(difluoromethylsulfonyl)-N-[(1S)-1-(3,4-difluorophenyl)ethyl]benzamide (CID 8795001) is 4-(difluoromethylsulfonyl)-N-[(1S)-1-(3,4-difluorophenyl)ethyl]benzamide.
What is the SMILES notation for 4-(difluoromethylsulfonyl)-N-[(1S)-1-(3,4-difluorophenyl)ethyl]benzamide?
The canonical SMILES for 4-(difluoromethylsulfonyl)-N-[(1S)-1-(3,4-difluorophenyl)ethyl]benzamide is C[C@H](NC(=O)c1ccc(S(=O)(=O)C(F)F)cc1)c1ccc(F)c(F)c1.
What is the InChIKey of 4-(difluoromethylsulfonyl)-N-[(1S)-1-(3,4-difluorophenyl)ethyl]benzamide?
The InChIKey is RXHMGSPXUSBMAK-VIFPVBQESA-N. The full InChI is InChI=1S/C16H13F4NO3S/c1-9(11-4-7-13(17)14(18)8-11)21-15(22)10-2-5-12(6-3-10)25(23,24)16(19)20/h2-9,16H,1H3,(H,21,22)/t9-/m0/s1.
What are the key properties of 4-(difluoromethylsulfonyl)-N-[(1S)-1-(3,4-difluorophenyl)ethyl]benzamide?
4-(difluoromethylsulfonyl)-N-[(1S)-1-(3,4-difluorophenyl)ethyl]benzamide has a molecular weight of 375.34 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylsulfonyl)-N-[(1S)-1-(3,4-difluorophenyl)ethyl]benzamide is sourced from PubChem (CID 8795001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).