4-(difluoromethylsulfonyl)-N-[(1S)-1-(furan-2-yl)ethyl]benzamide

C14H13F2NO4S — CID 8856828

IUPAC4-(difluoromethylsulfonyl)-N-[(1S)-1-(furan-2-yl)ethyl]benzamide
SMILESC[C@H](NC(=O)c1ccc(S(=O)(=O)C(F)F)cc1)c1ccco1
InChIInChI=1S/C14H13F2NO4S/c1-9(12-3-2-8-21-12)17-13(18)10-4-6-11(7-5-10)22(19,20)14(15)16/h2-9,14H,1H3,(H,17,18)/t9-/m0/s1
InChIKeyAFPVZFACNMJHAG-VIFPVBQESA-N
MW329.32 g/mol
LogP2.77
Rot. Bonds5

About 4-(difluoromethylsulfonyl)-N-[(1S)-1-(furan-2-yl)ethyl]benzamide

4-(difluoromethylsulfonyl)-N-[(1S)-1-(furan-2-yl)ethyl]benzamide (PubChem CID 8856828) has the molecular formula C14H13F2NO4S and a molecular weight of 329.32 g/mol. Its IUPAC name is 4-(difluoromethylsulfonyl)-N-[(1S)-1-(furan-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-(difluoromethylsulfonyl)-N-[(1S)-1-(furan-2-yl)ethyl]benzamide
PubChem CID8856828
Molecular FormulaC14H13F2NO4S
Molecular Weight329.32 g/mol
Exact Mass329.05
IUPAC Name4-(difluoromethylsulfonyl)-N-[(1S)-1-(furan-2-yl)ethyl]benzamide
SMILESC[C@H](NC(=O)c1ccc(S(=O)(=O)C(F)F)cc1)c1ccco1
InChIInChI=1S/C14H13F2NO4S/c1-9(12-3-2-8-21-12)17-13(18)10-4-6-11(7-5-10)22(19,20)14(15)16/h2-9,14H,1H3,(H,17,18)/t9-/m0/s1
InChIKeyAFPVZFACNMJHAG-VIFPVBQESA-N
XLogP2.77
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.32
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(difluoromethylsulfonyl)-N-(3-methylbutan-2-yl)benzamide
CID 51153952
N-[(1R)-1-(furan-2-yl)ethyl]-4-morpholin-4-ylsulfonylbenzamide
CID 8856521
N-[(1S)-1-(furan-2-yl)ethyl]-4-morpholin-4-ylsulfonylbenzamide
CID 8856511
4-cyano-N-[(1R)-1-(furan-2-yl)ethyl]benzamide
CID 9481732
N-[(1S)-1-(furan-2-yl)ethyl]-4-(trifluoromethoxy)benzamide
CID 9482027
4-(ethylamino)-N-[1-(furan-2-yl)ethyl]benzamide
CID 62169194
4-(difluoromethylsulfonyl)-N-[(1S)-1-(3,4-difluorophenyl)ethyl]benzamide
CID 8795001
4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[(1R)-1-(furan-2-yl)ethyl]benzamide
CID 28553682
3,4-dichloro-N-[(1S)-1-(furan-2-yl)ethyl]benzamide
CID 7995956
2,2-difluoro-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
CID 103515903
N-[1-(furan-2-yl)ethyl]-3-hydroxy-4-methylbenzamide
CID 43402437
4-(difluoromethylsulfonyl)-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]benzamide
CID 8501820

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylsulfonyl)-N-[(1S)-1-(furan-2-yl)ethyl]benzamide?
The IUPAC name of 4-(difluoromethylsulfonyl)-N-[(1S)-1-(furan-2-yl)ethyl]benzamide (CID 8856828) is 4-(difluoromethylsulfonyl)-N-[(1S)-1-(furan-2-yl)ethyl]benzamide.
What is the SMILES notation for 4-(difluoromethylsulfonyl)-N-[(1S)-1-(furan-2-yl)ethyl]benzamide?
The canonical SMILES for 4-(difluoromethylsulfonyl)-N-[(1S)-1-(furan-2-yl)ethyl]benzamide is C[C@H](NC(=O)c1ccc(S(=O)(=O)C(F)F)cc1)c1ccco1.
What is the InChIKey of 4-(difluoromethylsulfonyl)-N-[(1S)-1-(furan-2-yl)ethyl]benzamide?
The InChIKey is AFPVZFACNMJHAG-VIFPVBQESA-N. The full InChI is InChI=1S/C14H13F2NO4S/c1-9(12-3-2-8-21-12)17-13(18)10-4-6-11(7-5-10)22(19,20)14(15)16/h2-9,14H,1H3,(H,17,18)/t9-/m0/s1.
What are the key properties of 4-(difluoromethylsulfonyl)-N-[(1S)-1-(furan-2-yl)ethyl]benzamide?
4-(difluoromethylsulfonyl)-N-[(1S)-1-(furan-2-yl)ethyl]benzamide has a molecular weight of 329.32 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylsulfonyl)-N-[(1S)-1-(furan-2-yl)ethyl]benzamide is sourced from PubChem (CID 8856828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).