N-(9-oxofluoren-1-yl)-4-(trifluoromethyl)benzenesulfonamide

C20H12F3NO3S — CID 5190408

IUPACN-(9-oxofluoren-1-yl)-4-(trifluoromethyl)benzenesulfonamide
SMILESO=C1c2ccccc2-c2cccc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3)c21
InChIInChI=1S/C20H12F3NO3S/c21-20(22,23)12-8-10-13(11-9-12)28(26,27)24-17-7-3-6-15-14-4-1-2-5-16(14)19(25)18(15)17/h1-11,24H
InChIKeyFXRODXJGLHGQFW-UHFFFAOYSA-N
MW403.38 g/mol
LogP4.72
Rot. Bonds3

About N-(9-oxofluoren-1-yl)-4-(trifluoromethyl)benzenesulfonamide

N-(9-oxofluoren-1-yl)-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 5190408) has the molecular formula C20H12F3NO3S and a molecular weight of 403.38 g/mol. Its IUPAC name is N-(9-oxofluoren-1-yl)-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(9-oxofluoren-1-yl)-4-(trifluoromethyl)benzenesulfonamide
PubChem CID5190408
Molecular FormulaC20H12F3NO3S
Molecular Weight403.38 g/mol
Exact Mass403.05
IUPAC NameN-(9-oxofluoren-1-yl)-4-(trifluoromethyl)benzenesulfonamide
SMILESO=C1c2ccccc2-c2cccc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3)c21
InChIInChI=1S/C20H12F3NO3S/c21-20(22,23)12-8-10-13(11-9-12)28(26,27)24-17-7-3-6-15-14-4-1-2-5-16(14)19(25)18(15)17/h1-11,24H
InChIKeyFXRODXJGLHGQFW-UHFFFAOYSA-N
XLogP4.72
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.38
LogP ≤ 54.72
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 N-(9-oxofluoren-1-yl)-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(9-oxofluoren-1-yl)-4-(trifluoromethyl)benzenesulfonamide (CID 5190408) is N-(9-oxofluoren-1-yl)-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(9-oxofluoren-1-yl)-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(9-oxofluoren-1-yl)-4-(trifluoromethyl)benzenesulfonamide is O=C1c2ccccc2-c2cccc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3)c21.
What is the InChIKey of N-(9-oxofluoren-1-yl)-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is FXRODXJGLHGQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F3NO3S/c21-20(22,23)12-8-10-13(11-9-12)28(26,27)24-17-7-3-6-15-14-4-1-2-5-16(14)19(25)18(15)17/h1-11,24H.
What are the key properties of N-(9-oxofluoren-1-yl)-4-(trifluoromethyl)benzenesulfonamide?
N-(9-oxofluoren-1-yl)-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 403.38 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-oxofluoren-1-yl)-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 5190408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).