4-fluoro-N-[8-[2-(3-propan-2-ylphenoxy)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzenesulfonamide

C24H31FN2O3S — CID 127025243

IUPAC4-fluoro-N-[8-[2-(3-propan-2-ylphenoxy)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzenesulfonamide
SMILESCC(C)c1cccc(OCCN2C3CCC2CC(NS(=O)(=O)c2ccc(F)cc2)C3)c1
InChIInChI=1S/C24H31FN2O3S/c1-17(2)18-4-3-5-23(14-18)30-13-12-27-21-8-9-22(27)16-20(15-21)26-31(28,29)24-10-6-19(25)7-11-24/h3-7,10-11,14,17,20-22,26H,8-9,12-13,15-16H2,1-2H3
InChIKeyDZLVUHJQAQTQCL-UHFFFAOYSA-N
MW446.59 g/mol
LogP4.30
Rot. Bonds8

About 4-fluoro-N-[8-[2-(3-propan-2-ylphenoxy)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzenesulfonamide

4-fluoro-N-[8-[2-(3-propan-2-ylphenoxy)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzenesulfonamide (PubChem CID 127025243) has the molecular formula C24H31FN2O3S and a molecular weight of 446.59 g/mol. Its IUPAC name is 4-fluoro-N-[8-[2-(3-propan-2-ylphenoxy)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[8-[2-(3-propan-2-ylphenoxy)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzenesulfonamide
PubChem CID127025243
Molecular FormulaC24H31FN2O3S
Molecular Weight446.59 g/mol
Exact Mass446.20
IUPAC Name4-fluoro-N-[8-[2-(3-propan-2-ylphenoxy)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzenesulfonamide
SMILESCC(C)c1cccc(OCCN2C3CCC2CC(NS(=O)(=O)c2ccc(F)cc2)C3)c1
InChIInChI=1S/C24H31FN2O3S/c1-17(2)18-4-3-5-23(14-18)30-13-12-27-21-8-9-22(27)16-20(15-21)26-31(28,29)24-10-6-19(25)7-11-24/h3-7,10-11,14,17,20-22,26H,8-9,12-13,15-16H2,1-2H3
InChIKeyDZLVUHJQAQTQCL-UHFFFAOYSA-N
XLogP4.30
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.59
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[8-[2-(3-propan-2-ylphenoxy)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[8-[2-(3-propan-2-ylphenoxy)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzenesulfonamide (CID 127025243) is 4-fluoro-N-[8-[2-(3-propan-2-ylphenoxy)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[8-[2-(3-propan-2-ylphenoxy)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[8-[2-(3-propan-2-ylphenoxy)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzenesulfonamide is CC(C)c1cccc(OCCN2C3CCC2CC(NS(=O)(=O)c2ccc(F)cc2)C3)c1.
What is the InChIKey of 4-fluoro-N-[8-[2-(3-propan-2-ylphenoxy)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzenesulfonamide?
The InChIKey is DZLVUHJQAQTQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN2O3S/c1-17(2)18-4-3-5-23(14-18)30-13-12-27-21-8-9-22(27)16-20(15-21)26-31(28,29)24-10-6-19(25)7-11-24/h3-7,10-11,14,17,20-22,26H,8-9,12-13,15-16H2,1-2H3.
What are the key properties of 4-fluoro-N-[8-[2-(3-propan-2-ylphenoxy)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzenesulfonamide?
4-fluoro-N-[8-[2-(3-propan-2-ylphenoxy)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzenesulfonamide has a molecular weight of 446.59 g/mol, XLogP of 4.30, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[8-[2-(3-propan-2-ylphenoxy)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzenesulfonamide is sourced from PubChem (CID 127025243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).