4-(difluoromethylsulfonyl)-N-(9H-fluoren-2-yl)benzamide

C21H15F2NO3S — CID 34074909

IUPAC4-(difluoromethylsulfonyl)-N-(9H-fluoren-2-yl)benzamide
SMILESO=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C21H15F2NO3S/c22-21(23)28(26,27)17-8-5-13(6-9-17)20(25)24-16-7-10-19-15(12-16)11-14-3-1-2-4-18(14)19/h1-10,12,21H,11H2,(H,24,25)
InChIKeyCZOOHHSFXRNZCQ-UHFFFAOYSA-N
MW399.42 g/mol
LogP4.51
Rot. Bonds4

About 4-(difluoromethylsulfonyl)-N-(9H-fluoren-2-yl)benzamide

4-(difluoromethylsulfonyl)-N-(9H-fluoren-2-yl)benzamide (PubChem CID 34074909) has the molecular formula C21H15F2NO3S and a molecular weight of 399.42 g/mol. Its IUPAC name is 4-(difluoromethylsulfonyl)-N-(9H-fluoren-2-yl)benzamide.

Molecular Properties

Compound Name4-(difluoromethylsulfonyl)-N-(9H-fluoren-2-yl)benzamide
PubChem CID34074909
Molecular FormulaC21H15F2NO3S
Molecular Weight399.42 g/mol
Exact Mass399.07
IUPAC Name4-(difluoromethylsulfonyl)-N-(9H-fluoren-2-yl)benzamide
SMILESO=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C21H15F2NO3S/c22-21(23)28(26,27)17-8-5-13(6-9-17)20(25)24-16-7-10-19-15(12-16)11-14-3-1-2-4-18(14)19/h1-10,12,21H,11H2,(H,24,25)
InChIKeyCZOOHHSFXRNZCQ-UHFFFAOYSA-N
XLogP4.51
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.42
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(9H-fluoren-2-yl)-1-oxidopyridin-1-ium-4-carboxamide
CID 51154962
N-[4-(difluoromethylsulfonyl)phenyl]-4-phenoxybenzamide
CID 26898694
4-(difluoromethylsulfonyl)-N-(3-hydroxyphenyl)benzamide
CID 78829368
4-acetamido-N-[4-(difluoromethylsulfonyl)phenyl]benzamide
CID 26898710
3-chloro-N-(9H-fluoren-2-yl)-4-methylbenzamide
CID 806714
4-cyano-N-(9H-fluoren-3-yl)benzamide
CID 8699343
4-(difluoromethylsulfonyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 24560241
N-(9H-fluoren-3-yl)-4-[2-(methanesulfonamido)ethyl]benzamide
CID 25483410
N-(9H-fluoren-2-yl)pyridine-2-carboxamide
CID 24637018
N-(9H-fluoren-2-yl)-1-oxidopyridin-1-ium-2-carboxamide
CID 75362684
3-(tert-butylsulfamoyl)-N-(9H-fluoren-2-yl)-4-methoxybenzamide
CID 26889796
3-[[4-(difluoromethylsulfonyl)benzoyl]amino]-N-ethylbenzamide
CID 8782088

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylsulfonyl)-N-(9H-fluoren-2-yl)benzamide?
The IUPAC name of 4-(difluoromethylsulfonyl)-N-(9H-fluoren-2-yl)benzamide (CID 34074909) is 4-(difluoromethylsulfonyl)-N-(9H-fluoren-2-yl)benzamide.
What is the SMILES notation for 4-(difluoromethylsulfonyl)-N-(9H-fluoren-2-yl)benzamide?
The canonical SMILES for 4-(difluoromethylsulfonyl)-N-(9H-fluoren-2-yl)benzamide is O=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1ccc(S(=O)(=O)C(F)F)cc1.
What is the InChIKey of 4-(difluoromethylsulfonyl)-N-(9H-fluoren-2-yl)benzamide?
The InChIKey is CZOOHHSFXRNZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F2NO3S/c22-21(23)28(26,27)17-8-5-13(6-9-17)20(25)24-16-7-10-19-15(12-16)11-14-3-1-2-4-18(14)19/h1-10,12,21H,11H2,(H,24,25).
What are the key properties of 4-(difluoromethylsulfonyl)-N-(9H-fluoren-2-yl)benzamide?
4-(difluoromethylsulfonyl)-N-(9H-fluoren-2-yl)benzamide has a molecular weight of 399.42 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylsulfonyl)-N-(9H-fluoren-2-yl)benzamide is sourced from PubChem (CID 34074909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).