N-(9H-fluoren-9-yl)-1,1,1-trifluoromethanesulfonamide

C14H10F3NO2S — CID 134991205

IUPACN-(9H-fluoren-9-yl)-1,1,1-trifluoromethanesulfonamide
SMILESO=S(=O)(NC1c2ccccc2-c2ccccc21)C(F)(F)F
InChIInChI=1S/C14H10F3NO2S/c15-14(16,17)21(19,20)18-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8,13,18H
InChIKeyQIAPTHLRKITKMD-UHFFFAOYSA-N
MW313.30 g/mol
LogP3.20
Rot. Bonds2

About N-(9H-fluoren-9-yl)-1,1,1-trifluoromethanesulfonamide

N-(9H-fluoren-9-yl)-1,1,1-trifluoromethanesulfonamide (PubChem CID 134991205) has the molecular formula C14H10F3NO2S and a molecular weight of 313.30 g/mol. Its IUPAC name is N-(9H-fluoren-9-yl)-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-(9H-fluoren-9-yl)-1,1,1-trifluoromethanesulfonamide
PubChem CID134991205
Molecular FormulaC14H10F3NO2S
Molecular Weight313.30 g/mol
Exact Mass313.04
IUPAC NameN-(9H-fluoren-9-yl)-1,1,1-trifluoromethanesulfonamide
SMILESO=S(=O)(NC1c2ccccc2-c2ccccc21)C(F)(F)F
InChIInChI=1S/C14H10F3NO2S/c15-14(16,17)21(19,20)18-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8,13,18H
InChIKeyQIAPTHLRKITKMD-UHFFFAOYSA-N
XLogP3.20
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.30
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-2,2,5,7-tetrafluoro-1-(sulfamoylamino)-1,3-dihydroindene
CID 72694819
Fluoren-9-amine
CID 10671
9H-fluoren-9-amine hydrochloride
CID 2724685
1-(sulfamoylamino)-2,3-dihydro-1H-indene
CID 21416985
N-(2,3-dihydro-1H-inden-1-yl)methanesulfonamide
CID 47129147
N-(2,3-dihydro-1H-inden-1-yl)benzenesulfonamide
CID 286369
N-(1,2-diphenylethyl)-1,1,1-trifluoromethanesulfonamide
CID 148920988
N-(2,3-dihydro-1H-inden-1-yl)-3,4-difluorobenzenesulfonamide
CID 3726343
1,1,1-trifluoro-N-[(R)-(2-iodo-6-methylphenyl)-(2-methylphenyl)methyl]methanesulfonamide
CID 73292428
N-benzhydryl-1,1,1-trifluoromethanesulfonamide
CID 134948677
1,1,1-trifluoro-N-[(2-iodophenyl)-phenylmethyl]methanesulfonamide
CID 134948678
1,1,1-trifluoro-N-[(2-iodo-6-methylphenyl)-(2-methylphenyl)methyl]methanesulfonamide
CID 134948716

Frequently Asked Questions

What is the IUPAC name of N-(9H-fluoren-9-yl)-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-(9H-fluoren-9-yl)-1,1,1-trifluoromethanesulfonamide (CID 134991205) is N-(9H-fluoren-9-yl)-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-(9H-fluoren-9-yl)-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-(9H-fluoren-9-yl)-1,1,1-trifluoromethanesulfonamide is O=S(=O)(NC1c2ccccc2-c2ccccc21)C(F)(F)F.
What is the InChIKey of N-(9H-fluoren-9-yl)-1,1,1-trifluoromethanesulfonamide?
The InChIKey is QIAPTHLRKITKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO2S/c15-14(16,17)21(19,20)18-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8,13,18H.
What are the key properties of N-(9H-fluoren-9-yl)-1,1,1-trifluoromethanesulfonamide?
N-(9H-fluoren-9-yl)-1,1,1-trifluoromethanesulfonamide has a molecular weight of 313.30 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9H-fluoren-9-yl)-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 134991205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).