3,5-bis(4-chlorophenyl)-1,4-thiazinane 1,1-dioxide

C16H15Cl2NO2S — CID 15509376

IUPAC3,5-bis(4-chlorophenyl)-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CC(c2ccc(Cl)cc2)NC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C16H15Cl2NO2S/c17-13-5-1-11(2-6-13)15-9-22(20,21)10-16(19-15)12-3-7-14(18)8-4-12/h1-8,15-16,19H,9-10H2
InChIKeyXDDLYWOSAJDFKL-UHFFFAOYSA-N
MW356.27 g/mol
LogP3.79
Rot. Bonds2

About 3,5-bis(4-chlorophenyl)-1,4-thiazinane 1,1-dioxide

3,5-bis(4-chlorophenyl)-1,4-thiazinane 1,1-dioxide (PubChem CID 15509376) has the molecular formula C16H15Cl2NO2S and a molecular weight of 356.27 g/mol. Its IUPAC name is 3,5-bis(4-chlorophenyl)-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name3,5-bis(4-chlorophenyl)-1,4-thiazinane 1,1-dioxide
PubChem CID15509376
Molecular FormulaC16H15Cl2NO2S
Molecular Weight356.27 g/mol
Exact Mass355.02
IUPAC Name3,5-bis(4-chlorophenyl)-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CC(c2ccc(Cl)cc2)NC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C16H15Cl2NO2S/c17-13-5-1-11(2-6-13)15-9-22(20,21)10-16(19-15)12-3-7-14(18)8-4-12/h1-8,15-16,19H,9-10H2
InChIKeyXDDLYWOSAJDFKL-UHFFFAOYSA-N
XLogP3.79
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.27
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,5-bis(4-chlorophenyl)-1,4-thiazinane 1,1-dioxide with MolForge

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

Launch Full Analysis

Related Compounds

1-[2-(4-Chlorophenyl)sulfonyl-1-phenylethyl]piperidine
CID 2818845
4-(4-Chlorobenzyl)-1lambda~6~,4-thiazinane-1,1-dione
CID 3743586
N-(2-((bis(4-chlorophenyl)methyl)sulfinyl)ethyl)-3-phenylpropan-1-amine
CID 76314638
7-sulfonyl-THIQ 23
CID 16082606
1-(3-chlorophenyl)-N-[2-(4-chlorophenyl)sulfonylethyl]ethanamine
CID 16321759
2H-1,3-Thiazine, tetrahydro-2-(p-chlorophenyl)-, hydrochloride
CID 3061412
1-[1-(4-Chlorophenyl)ethyl]-4-(3-methylsulfonylpropyl)piperazine
CID 71988832
3-(4-Chlorophenyl)-4-(3-ethylsulfonylpropyl)thiomorpholine
CID 71999873
3-(4-Chlorophenyl)-4-(3-methylsulfonylpropyl)thiomorpholine
CID 72011953
3-(4-Chlorophenyl)-4-(2-methylsulfonylethyl)thiomorpholine
CID 72011954
N-[2-[3-(4-chlorophenyl)thiomorpholin-4-yl]ethyl]methanesulfonamide
CID 72011957
N-[1-(4-chlorophenyl)ethyl]-1-(2-methylsulfonylethyl)piperidin-4-amine
CID 75427998

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(4-chlorophenyl)-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 3,5-bis(4-chlorophenyl)-1,4-thiazinane 1,1-dioxide (CID 15509376) is 3,5-bis(4-chlorophenyl)-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 3,5-bis(4-chlorophenyl)-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 3,5-bis(4-chlorophenyl)-1,4-thiazinane 1,1-dioxide is O=S1(=O)CC(c2ccc(Cl)cc2)NC(c2ccc(Cl)cc2)C1.
What is the InChIKey of 3,5-bis(4-chlorophenyl)-1,4-thiazinane 1,1-dioxide?
The InChIKey is XDDLYWOSAJDFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO2S/c17-13-5-1-11(2-6-13)15-9-22(20,21)10-16(19-15)12-3-7-14(18)8-4-12/h1-8,15-16,19H,9-10H2.
What are the key properties of 3,5-bis(4-chlorophenyl)-1,4-thiazinane 1,1-dioxide?
3,5-bis(4-chlorophenyl)-1,4-thiazinane 1,1-dioxide has a molecular weight of 356.27 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(4-chlorophenyl)-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 15509376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).