N-(8-azabicyclo[3.2.1]octan-3-yl)-5-fluoro-2-(2-methoxyethoxy)benzenesulfonamide

C16H23FN2O4S — CID 120707764

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-5-fluoro-2-(2-methoxyethoxy)benzenesulfonamide
SMILESCOCCOc1ccc(F)cc1S(=O)(=O)NC1CC2CCC(C1)N2
InChIInChI=1S/C16H23FN2O4S/c1-22-6-7-23-15-5-2-11(17)8-16(15)24(20,21)19-14-9-12-3-4-13(10-14)18-12/h2,5,8,12-14,18-19H,3-4,6-7,9-10H2,1H3
InChIKeyWOOUXIHQIZRMOI-UHFFFAOYSA-N
MW358.44 g/mol
LogP1.41
Rot. Bonds7

About N-(8-azabicyclo[3.2.1]octan-3-yl)-5-fluoro-2-(2-methoxyethoxy)benzenesulfonamide

N-(8-azabicyclo[3.2.1]octan-3-yl)-5-fluoro-2-(2-methoxyethoxy)benzenesulfonamide (PubChem CID 120707764) has the molecular formula C16H23FN2O4S and a molecular weight of 358.44 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-5-fluoro-2-(2-methoxyethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-5-fluoro-2-(2-methoxyethoxy)benzenesulfonamide
PubChem CID120707764
Molecular FormulaC16H23FN2O4S
Molecular Weight358.44 g/mol
Exact Mass358.14
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-5-fluoro-2-(2-methoxyethoxy)benzenesulfonamide
SMILESCOCCOc1ccc(F)cc1S(=O)(=O)NC1CC2CCC(C1)N2
InChIInChI=1S/C16H23FN2O4S/c1-22-6-7-23-15-5-2-11(17)8-16(15)24(20,21)19-14-9-12-3-4-13(10-14)18-12/h2,5,8,12-14,18-19H,3-4,6-7,9-10H2,1H3
InChIKeyWOOUXIHQIZRMOI-UHFFFAOYSA-N
XLogP1.41
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-5-fluoro-2-(2-methoxyethoxy)benzenesulfonamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-5-fluoro-2-(2-methoxyethoxy)benzenesulfonamide (CID 120707764) is N-(8-azabicyclo[3.2.1]octan-3-yl)-5-fluoro-2-(2-methoxyethoxy)benzenesulfonamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-5-fluoro-2-(2-methoxyethoxy)benzenesulfonamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-5-fluoro-2-(2-methoxyethoxy)benzenesulfonamide is COCCOc1ccc(F)cc1S(=O)(=O)NC1CC2CCC(C1)N2.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-5-fluoro-2-(2-methoxyethoxy)benzenesulfonamide?
The InChIKey is WOOUXIHQIZRMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O4S/c1-22-6-7-23-15-5-2-11(17)8-16(15)24(20,21)19-14-9-12-3-4-13(10-14)18-12/h2,5,8,12-14,18-19H,3-4,6-7,9-10H2,1H3.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-5-fluoro-2-(2-methoxyethoxy)benzenesulfonamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-fluoro-2-(2-methoxyethoxy)benzenesulfonamide has a molecular weight of 358.44 g/mol, XLogP of 1.41, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-5-fluoro-2-(2-methoxyethoxy)benzenesulfonamide is sourced from PubChem (CID 120707764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).