3-(4-chlorophenyl)-1-phenyl-2λ6-thia-3-azabicyclo[3.1.0]hexane 2,2-dioxide

C16H14ClNO2S — CID 66561546

IUPAC3-(4-chlorophenyl)-1-phenyl-2λ6-thia-3-azabicyclo[3.1.0]hexane 2,2-dioxide
SMILESO=S1(=O)N(c2ccc(Cl)cc2)CC2CC21c1ccccc1
InChIInChI=1S/C16H14ClNO2S/c17-14-6-8-15(9-7-14)18-11-13-10-16(13,21(18,19)20)12-4-2-1-3-5-12/h1-9,13H,10-11H2
InChIKeyKDXVFAGXDNEURK-UHFFFAOYSA-N
MW319.81 g/mol
LogP3.41
Rot. Bonds2

About 3-(4-chlorophenyl)-1-phenyl-2λ6-thia-3-azabicyclo[3.1.0]hexane 2,2-dioxide

3-(4-chlorophenyl)-1-phenyl-2λ6-thia-3-azabicyclo[3.1.0]hexane 2,2-dioxide (PubChem CID 66561546) has the molecular formula C16H14ClNO2S and a molecular weight of 319.81 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-phenyl-2λ6-thia-3-azabicyclo[3.1.0]hexane 2,2-dioxide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-phenyl-2λ6-thia-3-azabicyclo[3.1.0]hexane 2,2-dioxide
PubChem CID66561546
Molecular FormulaC16H14ClNO2S
Molecular Weight319.81 g/mol
Exact Mass319.04
IUPAC Name3-(4-chlorophenyl)-1-phenyl-2λ6-thia-3-azabicyclo[3.1.0]hexane 2,2-dioxide
SMILESO=S1(=O)N(c2ccc(Cl)cc2)CC2CC21c1ccccc1
InChIInChI=1S/C16H14ClNO2S/c17-14-6-8-15(9-7-14)18-11-13-10-16(13,21(18,19)20)12-4-2-1-3-5-12/h1-9,13H,10-11H2
InChIKeyKDXVFAGXDNEURK-UHFFFAOYSA-N
XLogP3.41
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.81
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-phenyl-2λ6-thia-3-azabicyclo[3.1.0]hexane 2,2-dioxide?
The IUPAC name of 3-(4-chlorophenyl)-1-phenyl-2λ6-thia-3-azabicyclo[3.1.0]hexane 2,2-dioxide (CID 66561546) is 3-(4-chlorophenyl)-1-phenyl-2λ6-thia-3-azabicyclo[3.1.0]hexane 2,2-dioxide.
What is the SMILES notation for 3-(4-chlorophenyl)-1-phenyl-2λ6-thia-3-azabicyclo[3.1.0]hexane 2,2-dioxide?
The canonical SMILES for 3-(4-chlorophenyl)-1-phenyl-2λ6-thia-3-azabicyclo[3.1.0]hexane 2,2-dioxide is O=S1(=O)N(c2ccc(Cl)cc2)CC2CC21c1ccccc1.
What is the InChIKey of 3-(4-chlorophenyl)-1-phenyl-2λ6-thia-3-azabicyclo[3.1.0]hexane 2,2-dioxide?
The InChIKey is KDXVFAGXDNEURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO2S/c17-14-6-8-15(9-7-14)18-11-13-10-16(13,21(18,19)20)12-4-2-1-3-5-12/h1-9,13H,10-11H2.
What are the key properties of 3-(4-chlorophenyl)-1-phenyl-2λ6-thia-3-azabicyclo[3.1.0]hexane 2,2-dioxide?
3-(4-chlorophenyl)-1-phenyl-2λ6-thia-3-azabicyclo[3.1.0]hexane 2,2-dioxide has a molecular weight of 319.81 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-phenyl-2λ6-thia-3-azabicyclo[3.1.0]hexane 2,2-dioxide is sourced from PubChem (CID 66561546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).