1,1,1-trifluoro-N-(9-oxofluoren-1-yl)methanesulfonamide

C14H8F3NO3S — CID 159790833

IUPAC1,1,1-trifluoro-N-(9-oxofluoren-1-yl)methanesulfonamide
SMILESO=C1c2ccccc2-c2cccc(NS(=O)(=O)C(F)(F)F)c21
InChIInChI=1S/C14H8F3NO3S/c15-14(16,17)22(20,21)18-11-7-3-6-9-8-4-1-2-5-10(8)13(19)12(9)11/h1-7,18H
InChIKeyNINNEQWFKILGBP-UHFFFAOYSA-N
MW327.28 g/mol
LogP3.16
Rot. Bonds2

About 1,1,1-trifluoro-N-(9-oxofluoren-1-yl)methanesulfonamide

1,1,1-trifluoro-N-(9-oxofluoren-1-yl)methanesulfonamide (PubChem CID 159790833) has the molecular formula C14H8F3NO3S and a molecular weight of 327.28 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-(9-oxofluoren-1-yl)methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-(9-oxofluoren-1-yl)methanesulfonamide
PubChem CID159790833
Molecular FormulaC14H8F3NO3S
Molecular Weight327.28 g/mol
Exact Mass327.02
IUPAC Name1,1,1-trifluoro-N-(9-oxofluoren-1-yl)methanesulfonamide
SMILESO=C1c2ccccc2-c2cccc(NS(=O)(=O)C(F)(F)F)c21
InChIInChI=1S/C14H8F3NO3S/c15-14(16,17)22(20,21)18-11-7-3-6-9-8-4-1-2-5-10(8)13(19)12(9)11/h1-7,18H
InChIKeyNINNEQWFKILGBP-UHFFFAOYSA-N
XLogP3.16
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.28
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-(9-oxofluoren-1-yl)methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-(9-oxofluoren-1-yl)methanesulfonamide (CID 159790833) is 1,1,1-trifluoro-N-(9-oxofluoren-1-yl)methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-(9-oxofluoren-1-yl)methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-(9-oxofluoren-1-yl)methanesulfonamide is O=C1c2ccccc2-c2cccc(NS(=O)(=O)C(F)(F)F)c21.
What is the InChIKey of 1,1,1-trifluoro-N-(9-oxofluoren-1-yl)methanesulfonamide?
The InChIKey is NINNEQWFKILGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3NO3S/c15-14(16,17)22(20,21)18-11-7-3-6-9-8-4-1-2-5-10(8)13(19)12(9)11/h1-7,18H.
What are the key properties of 1,1,1-trifluoro-N-(9-oxofluoren-1-yl)methanesulfonamide?
1,1,1-trifluoro-N-(9-oxofluoren-1-yl)methanesulfonamide has a molecular weight of 327.28 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-(9-oxofluoren-1-yl)methanesulfonamide is sourced from PubChem (CID 159790833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).