(1S,2R,5S,6S)-3-(3,5-dichlorophenyl)sulfonyl-3-azatricyclo[4.2.1.02,5]nonane

C14H15Cl2NO2S — CID 124744245

IUPAC(1S,2R,5S,6S)-3-(3,5-dichlorophenyl)sulfonyl-3-azatricyclo[4.2.1.02,5]nonane
SMILESO=S(=O)(c1cc(Cl)cc(Cl)c1)N1C[C@@H]2[C@H]3CC[C@@H](C3)[C@H]21
InChIInChI=1S/C14H15Cl2NO2S/c15-10-4-11(16)6-12(5-10)20(18,19)17-7-13-8-1-2-9(3-8)14(13)17/h4-6,8-9,13-14H,1-3,7H2/t8-,9-,13+,14+/m0/s1
InChIKeyZVYGGELMHLRVIB-QYAIJTBZSA-N
MW332.25 g/mol
LogP3.41
Rot. Bonds2

About (1S,2R,5S,6S)-3-(3,5-dichlorophenyl)sulfonyl-3-azatricyclo[4.2.1.02,5]nonane

(1S,2R,5S,6S)-3-(3,5-dichlorophenyl)sulfonyl-3-azatricyclo[4.2.1.02,5]nonane (PubChem CID 124744245) has the molecular formula C14H15Cl2NO2S and a molecular weight of 332.25 g/mol. Its IUPAC name is (1S,2R,5S,6S)-3-(3,5-dichlorophenyl)sulfonyl-3-azatricyclo[4.2.1.02,5]nonane.

Molecular Properties

Compound Name(1S,2R,5S,6S)-3-(3,5-dichlorophenyl)sulfonyl-3-azatricyclo[4.2.1.02,5]nonane
PubChem CID124744245
Molecular FormulaC14H15Cl2NO2S
Molecular Weight332.25 g/mol
Exact Mass331.02
IUPAC Name(1S,2R,5S,6S)-3-(3,5-dichlorophenyl)sulfonyl-3-azatricyclo[4.2.1.02,5]nonane
SMILESO=S(=O)(c1cc(Cl)cc(Cl)c1)N1C[C@@H]2[C@H]3CC[C@@H](C3)[C@H]21
InChIInChI=1S/C14H15Cl2NO2S/c15-10-4-11(16)6-12(5-10)20(18,19)17-7-13-8-1-2-9(3-8)14(13)17/h4-6,8-9,13-14H,1-3,7H2/t8-,9-,13+,14+/m0/s1
InChIKeyZVYGGELMHLRVIB-QYAIJTBZSA-N
XLogP3.41
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.25
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1S,2R,5S,6S)-3-(3,5-dichlorophenyl)sulfonyl-3-azatricyclo[4.2.1.02,5]nonane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S,2R,5S,6S)-3-(3,5-dichlorophenyl)sulfonyl-3-azatricyclo[4.2.1.02,5]nonane?
The IUPAC name of (1S,2R,5S,6S)-3-(3,5-dichlorophenyl)sulfonyl-3-azatricyclo[4.2.1.02,5]nonane (CID 124744245) is (1S,2R,5S,6S)-3-(3,5-dichlorophenyl)sulfonyl-3-azatricyclo[4.2.1.02,5]nonane.
What is the SMILES notation for (1S,2R,5S,6S)-3-(3,5-dichlorophenyl)sulfonyl-3-azatricyclo[4.2.1.02,5]nonane?
The canonical SMILES for (1S,2R,5S,6S)-3-(3,5-dichlorophenyl)sulfonyl-3-azatricyclo[4.2.1.02,5]nonane is O=S(=O)(c1cc(Cl)cc(Cl)c1)N1C[C@@H]2[C@H]3CC[C@@H](C3)[C@H]21.
What is the InChIKey of (1S,2R,5S,6S)-3-(3,5-dichlorophenyl)sulfonyl-3-azatricyclo[4.2.1.02,5]nonane?
The InChIKey is ZVYGGELMHLRVIB-QYAIJTBZSA-N. The full InChI is InChI=1S/C14H15Cl2NO2S/c15-10-4-11(16)6-12(5-10)20(18,19)17-7-13-8-1-2-9(3-8)14(13)17/h4-6,8-9,13-14H,1-3,7H2/t8-,9-,13+,14+/m0/s1.
What are the key properties of (1S,2R,5S,6S)-3-(3,5-dichlorophenyl)sulfonyl-3-azatricyclo[4.2.1.02,5]nonane?
(1S,2R,5S,6S)-3-(3,5-dichlorophenyl)sulfonyl-3-azatricyclo[4.2.1.02,5]nonane has a molecular weight of 332.25 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 (1S,2R,5S,6S)-3-(3,5-dichlorophenyl)sulfonyl-3-azatricyclo[4.2.1.02,5]nonane is sourced from PubChem (CID 124744245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).