(5S,6S)-10-(3,5-dichlorophenyl)sulfonyl-5-hydroxy-3,10-diazabicyclo[4.3.1]decan-2-one

C14H16Cl2N2O4S — CID 118258916

IUPAC(5S,6S)-10-(3,5-dichlorophenyl)sulfonyl-5-hydroxy-3,10-diazabicyclo[4.3.1]decan-2-one
SMILESO=C1NC[C@H](O)[C@@H]2CCCC1N2S(=O)(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H16Cl2N2O4S/c15-8-4-9(16)6-10(5-8)23(21,22)18-11-2-1-3-12(18)14(20)17-7-13(11)19/h4-6,11-13,19H,1-3,7H2,(H,17,20)/t11-,12?,13-/m0/s1
InChIKeyYKJKBEGMUFJKDJ-RXTYADHFSA-N
MW379.27 g/mol
LogP1.40
Rot. Bonds2

About (5S,6S)-10-(3,5-dichlorophenyl)sulfonyl-5-hydroxy-3,10-diazabicyclo[4.3.1]decan-2-one

(5S,6S)-10-(3,5-dichlorophenyl)sulfonyl-5-hydroxy-3,10-diazabicyclo[4.3.1]decan-2-one (PubChem CID 118258916) has the molecular formula C14H16Cl2N2O4S and a molecular weight of 379.27 g/mol. Its IUPAC name is (5S,6S)-10-(3,5-dichlorophenyl)sulfonyl-5-hydroxy-3,10-diazabicyclo[4.3.1]decan-2-one.

Molecular Properties

Compound Name(5S,6S)-10-(3,5-dichlorophenyl)sulfonyl-5-hydroxy-3,10-diazabicyclo[4.3.1]decan-2-one
PubChem CID118258916
Molecular FormulaC14H16Cl2N2O4S
Molecular Weight379.27 g/mol
Exact Mass378.02
IUPAC Name(5S,6S)-10-(3,5-dichlorophenyl)sulfonyl-5-hydroxy-3,10-diazabicyclo[4.3.1]decan-2-one
SMILESO=C1NC[C@H](O)[C@@H]2CCCC1N2S(=O)(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H16Cl2N2O4S/c15-8-4-9(16)6-10(5-8)23(21,22)18-11-2-1-3-12(18)14(20)17-7-13(11)19/h4-6,11-13,19H,1-3,7H2,(H,17,20)/t11-,12?,13-/m0/s1
InChIKeyYKJKBEGMUFJKDJ-RXTYADHFSA-N
XLogP1.40
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.27
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (5S,6S)-10-(3,5-dichlorophenyl)sulfonyl-5-hydroxy-3,10-diazabicyclo[4.3.1]decan-2-one 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 (5S,6S)-10-(3,5-dichlorophenyl)sulfonyl-5-hydroxy-3,10-diazabicyclo[4.3.1]decan-2-one?
The IUPAC name of (5S,6S)-10-(3,5-dichlorophenyl)sulfonyl-5-hydroxy-3,10-diazabicyclo[4.3.1]decan-2-one (CID 118258916) is (5S,6S)-10-(3,5-dichlorophenyl)sulfonyl-5-hydroxy-3,10-diazabicyclo[4.3.1]decan-2-one.
What is the SMILES notation for (5S,6S)-10-(3,5-dichlorophenyl)sulfonyl-5-hydroxy-3,10-diazabicyclo[4.3.1]decan-2-one?
The canonical SMILES for (5S,6S)-10-(3,5-dichlorophenyl)sulfonyl-5-hydroxy-3,10-diazabicyclo[4.3.1]decan-2-one is O=C1NC[C@H](O)[C@@H]2CCCC1N2S(=O)(=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of (5S,6S)-10-(3,5-dichlorophenyl)sulfonyl-5-hydroxy-3,10-diazabicyclo[4.3.1]decan-2-one?
The InChIKey is YKJKBEGMUFJKDJ-RXTYADHFSA-N. The full InChI is InChI=1S/C14H16Cl2N2O4S/c15-8-4-9(16)6-10(5-8)23(21,22)18-11-2-1-3-12(18)14(20)17-7-13(11)19/h4-6,11-13,19H,1-3,7H2,(H,17,20)/t11-,12?,13-/m0/s1.
What are the key properties of (5S,6S)-10-(3,5-dichlorophenyl)sulfonyl-5-hydroxy-3,10-diazabicyclo[4.3.1]decan-2-one?
(5S,6S)-10-(3,5-dichlorophenyl)sulfonyl-5-hydroxy-3,10-diazabicyclo[4.3.1]decan-2-one has a molecular weight of 379.27 g/mol, XLogP of 1.40, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6S)-10-(3,5-dichlorophenyl)sulfonyl-5-hydroxy-3,10-diazabicyclo[4.3.1]decan-2-one is sourced from PubChem (CID 118258916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).