7-(2-phenylphenyl)sulfonyl-3λ6-thia-7-azabicyclo[3.3.1]nonane 3,3-dioxide

C19H21NO4S2 — CID 167886953

IUPAC7-(2-phenylphenyl)sulfonyl-3λ6-thia-7-azabicyclo[3.3.1]nonane 3,3-dioxide
SMILESO=S1(=O)CC2CC(CN(S(=O)(=O)c3ccccc3-c3ccccc3)C2)C1
InChIInChI=1S/C19H21NO4S2/c21-25(22)13-15-10-16(14-25)12-20(11-15)26(23,24)19-9-5-4-8-18(19)17-6-2-1-3-7-17/h1-9,15-16H,10-14H2
InChIKeyAAMGSSCSVWYSMK-UHFFFAOYSA-N
MW391.51 g/mol
LogP2.41
Rot. Bonds3

About 7-(2-phenylphenyl)sulfonyl-3λ6-thia-7-azabicyclo[3.3.1]nonane 3,3-dioxide

7-(2-phenylphenyl)sulfonyl-3λ6-thia-7-azabicyclo[3.3.1]nonane 3,3-dioxide (PubChem CID 167886953) has the molecular formula C19H21NO4S2 and a molecular weight of 391.51 g/mol. Its IUPAC name is 7-(2-phenylphenyl)sulfonyl-3λ6-thia-7-azabicyclo[3.3.1]nonane 3,3-dioxide.

Molecular Properties

Compound Name7-(2-phenylphenyl)sulfonyl-3λ6-thia-7-azabicyclo[3.3.1]nonane 3,3-dioxide
PubChem CID167886953
Molecular FormulaC19H21NO4S2
Molecular Weight391.51 g/mol
Exact Mass391.09
IUPAC Name7-(2-phenylphenyl)sulfonyl-3λ6-thia-7-azabicyclo[3.3.1]nonane 3,3-dioxide
SMILESO=S1(=O)CC2CC(CN(S(=O)(=O)c3ccccc3-c3ccccc3)C2)C1
InChIInChI=1S/C19H21NO4S2/c21-25(22)13-15-10-16(14-25)12-20(11-15)26(23,24)19-9-5-4-8-18(19)17-6-2-1-3-7-17/h1-9,15-16H,10-14H2
InChIKeyAAMGSSCSVWYSMK-UHFFFAOYSA-N
XLogP2.41
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.51
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(2-phenylphenyl)sulfonyl-3λ6-thia-7-azabicyclo[3.3.1]nonane 3,3-dioxide?
The IUPAC name of 7-(2-phenylphenyl)sulfonyl-3λ6-thia-7-azabicyclo[3.3.1]nonane 3,3-dioxide (CID 167886953) is 7-(2-phenylphenyl)sulfonyl-3λ6-thia-7-azabicyclo[3.3.1]nonane 3,3-dioxide.
What is the SMILES notation for 7-(2-phenylphenyl)sulfonyl-3λ6-thia-7-azabicyclo[3.3.1]nonane 3,3-dioxide?
The canonical SMILES for 7-(2-phenylphenyl)sulfonyl-3λ6-thia-7-azabicyclo[3.3.1]nonane 3,3-dioxide is O=S1(=O)CC2CC(CN(S(=O)(=O)c3ccccc3-c3ccccc3)C2)C1.
What is the InChIKey of 7-(2-phenylphenyl)sulfonyl-3λ6-thia-7-azabicyclo[3.3.1]nonane 3,3-dioxide?
The InChIKey is AAMGSSCSVWYSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4S2/c21-25(22)13-15-10-16(14-25)12-20(11-15)26(23,24)19-9-5-4-8-18(19)17-6-2-1-3-7-17/h1-9,15-16H,10-14H2.
What are the key properties of 7-(2-phenylphenyl)sulfonyl-3λ6-thia-7-azabicyclo[3.3.1]nonane 3,3-dioxide?
7-(2-phenylphenyl)sulfonyl-3λ6-thia-7-azabicyclo[3.3.1]nonane 3,3-dioxide has a molecular weight of 391.51 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-phenylphenyl)sulfonyl-3λ6-thia-7-azabicyclo[3.3.1]nonane 3,3-dioxide is sourced from PubChem (CID 167886953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).