N-[1,1-bis(4-fluorophenyl)-1-hydroxy-3-methylpentan-2-yl]-2-fluorobenzenesulfonamide

C24H24F3NO3S — CID 21078770

IUPACN-[1,1-bis(4-fluorophenyl)-1-hydroxy-3-methylpentan-2-yl]-2-fluorobenzenesulfonamide
SMILESCCC(C)C(NS(=O)(=O)c1ccccc1F)C(O)(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C24H24F3NO3S/c1-3-16(2)23(28-32(30,31)22-7-5-4-6-21(22)27)24(29,17-8-12-19(25)13-9-17)18-10-14-20(26)15-11-18/h4-16,23,28-29H,3H2,1-2H3
InChIKeyBILBJPMNCIIHHY-UHFFFAOYSA-N
MW463.52 g/mol
LogP4.73
Rot. Bonds8

About N-[1,1-bis(4-fluorophenyl)-1-hydroxy-3-methylpentan-2-yl]-2-fluorobenzenesulfonamide

N-[1,1-bis(4-fluorophenyl)-1-hydroxy-3-methylpentan-2-yl]-2-fluorobenzenesulfonamide (PubChem CID 21078770) has the molecular formula C24H24F3NO3S and a molecular weight of 463.52 g/mol. Its IUPAC name is N-[1,1-bis(4-fluorophenyl)-1-hydroxy-3-methylpentan-2-yl]-2-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[1,1-bis(4-fluorophenyl)-1-hydroxy-3-methylpentan-2-yl]-2-fluorobenzenesulfonamide
PubChem CID21078770
Molecular FormulaC24H24F3NO3S
Molecular Weight463.52 g/mol
Exact Mass463.14
IUPAC NameN-[1,1-bis(4-fluorophenyl)-1-hydroxy-3-methylpentan-2-yl]-2-fluorobenzenesulfonamide
SMILESCCC(C)C(NS(=O)(=O)c1ccccc1F)C(O)(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C24H24F3NO3S/c1-3-16(2)23(28-32(30,31)22-7-5-4-6-21(22)27)24(29,17-8-12-19(25)13-9-17)18-10-14-20(26)15-11-18/h4-16,23,28-29H,3H2,1-2H3
InChIKeyBILBJPMNCIIHHY-UHFFFAOYSA-N
XLogP4.73
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.52
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1,1-bis(4-fluorophenyl)-1-hydroxy-3-methylpentan-2-yl]-2-fluorobenzenesulfonamide?
The IUPAC name of N-[1,1-bis(4-fluorophenyl)-1-hydroxy-3-methylpentan-2-yl]-2-fluorobenzenesulfonamide (CID 21078770) is N-[1,1-bis(4-fluorophenyl)-1-hydroxy-3-methylpentan-2-yl]-2-fluorobenzenesulfonamide.
What is the SMILES notation for N-[1,1-bis(4-fluorophenyl)-1-hydroxy-3-methylpentan-2-yl]-2-fluorobenzenesulfonamide?
The canonical SMILES for N-[1,1-bis(4-fluorophenyl)-1-hydroxy-3-methylpentan-2-yl]-2-fluorobenzenesulfonamide is CCC(C)C(NS(=O)(=O)c1ccccc1F)C(O)(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of N-[1,1-bis(4-fluorophenyl)-1-hydroxy-3-methylpentan-2-yl]-2-fluorobenzenesulfonamide?
The InChIKey is BILBJPMNCIIHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3NO3S/c1-3-16(2)23(28-32(30,31)22-7-5-4-6-21(22)27)24(29,17-8-12-19(25)13-9-17)18-10-14-20(26)15-11-18/h4-16,23,28-29H,3H2,1-2H3.
What are the key properties of N-[1,1-bis(4-fluorophenyl)-1-hydroxy-3-methylpentan-2-yl]-2-fluorobenzenesulfonamide?
N-[1,1-bis(4-fluorophenyl)-1-hydroxy-3-methylpentan-2-yl]-2-fluorobenzenesulfonamide has a molecular weight of 463.52 g/mol, XLogP of 4.73, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,1-bis(4-fluorophenyl)-1-hydroxy-3-methylpentan-2-yl]-2-fluorobenzenesulfonamide is sourced from PubChem (CID 21078770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).