N-(3-ethyl-3-bicyclo[3.3.1]nonanyl)-4-(trifluoromethyl)benzenesulfonamide

C18H24F3NO2S — CID 134204247

IUPACN-(3-ethyl-3-bicyclo[3.3.1]nonanyl)-4-(trifluoromethyl)benzenesulfonamide
SMILESCCC1(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)CC2CCCC(C2)C1
InChIInChI=1S/C18H24F3NO2S/c1-2-17(11-13-4-3-5-14(10-13)12-17)22-25(23,24)16-8-6-15(7-9-16)18(19,20)21/h6-9,13-14,22H,2-5,10-12H2,1H3
InChIKeyPUXKRBMSOBHAHO-UHFFFAOYSA-N
MW375.46 g/mol
LogP4.73
Rot. Bonds4

About N-(3-ethyl-3-bicyclo[3.3.1]nonanyl)-4-(trifluoromethyl)benzenesulfonamide

N-(3-ethyl-3-bicyclo[3.3.1]nonanyl)-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 134204247) has the molecular formula C18H24F3NO2S and a molecular weight of 375.46 g/mol. Its IUPAC name is N-(3-ethyl-3-bicyclo[3.3.1]nonanyl)-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-ethyl-3-bicyclo[3.3.1]nonanyl)-4-(trifluoromethyl)benzenesulfonamide
PubChem CID134204247
Molecular FormulaC18H24F3NO2S
Molecular Weight375.46 g/mol
Exact Mass375.15
IUPAC NameN-(3-ethyl-3-bicyclo[3.3.1]nonanyl)-4-(trifluoromethyl)benzenesulfonamide
SMILESCCC1(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)CC2CCCC(C2)C1
InChIInChI=1S/C18H24F3NO2S/c1-2-17(11-13-4-3-5-14(10-13)12-17)22-25(23,24)16-8-6-15(7-9-16)18(19,20)21/h6-9,13-14,22H,2-5,10-12H2,1H3
InChIKeyPUXKRBMSOBHAHO-UHFFFAOYSA-N
XLogP4.73
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.46
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-3-bicyclo[3.3.1]nonanyl)-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(3-ethyl-3-bicyclo[3.3.1]nonanyl)-4-(trifluoromethyl)benzenesulfonamide (CID 134204247) is N-(3-ethyl-3-bicyclo[3.3.1]nonanyl)-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(3-ethyl-3-bicyclo[3.3.1]nonanyl)-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(3-ethyl-3-bicyclo[3.3.1]nonanyl)-4-(trifluoromethyl)benzenesulfonamide is CCC1(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)CC2CCCC(C2)C1.
What is the InChIKey of N-(3-ethyl-3-bicyclo[3.3.1]nonanyl)-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is PUXKRBMSOBHAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3NO2S/c1-2-17(11-13-4-3-5-14(10-13)12-17)22-25(23,24)16-8-6-15(7-9-16)18(19,20)21/h6-9,13-14,22H,2-5,10-12H2,1H3.
What are the key properties of N-(3-ethyl-3-bicyclo[3.3.1]nonanyl)-4-(trifluoromethyl)benzenesulfonamide?
N-(3-ethyl-3-bicyclo[3.3.1]nonanyl)-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 375.46 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-3-bicyclo[3.3.1]nonanyl)-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 134204247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).