(3S,4R)-3-(4-chlorophenyl)sulfonyl-4-[4-(3-methylphenyl)piperazin-1-yl]thiolane 1,1-dioxide

C21H25ClN2O4S2 — CID 124655620

IUPAC(3S,4R)-3-(4-chlorophenyl)sulfonyl-4-[4-(3-methylphenyl)piperazin-1-yl]thiolane 1,1-dioxide
SMILESCc1cccc(N2CCN([C@@H]3CS(=O)(=O)C[C@H]3S(=O)(=O)c3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C21H25ClN2O4S2/c1-16-3-2-4-18(13-16)23-9-11-24(12-10-23)20-14-29(25,26)15-21(20)30(27,28)19-7-5-17(22)6-8-19/h2-8,13,20-21H,9-12,14-15H2,1H3/t20-,21-/m1/s1
InChIKeyWPDHLFJINYEXGF-NHCUHLMSSA-N
MW469.03 g/mol
LogP2.41
Rot. Bonds4

About (3S,4R)-3-(4-chlorophenyl)sulfonyl-4-[4-(3-methylphenyl)piperazin-1-yl]thiolane 1,1-dioxide

(3S,4R)-3-(4-chlorophenyl)sulfonyl-4-[4-(3-methylphenyl)piperazin-1-yl]thiolane 1,1-dioxide (PubChem CID 124655620) has the molecular formula C21H25ClN2O4S2 and a molecular weight of 469.03 g/mol. Its IUPAC name is (3S,4R)-3-(4-chlorophenyl)sulfonyl-4-[4-(3-methylphenyl)piperazin-1-yl]thiolane 1,1-dioxide.

Molecular Properties

Compound Name(3S,4R)-3-(4-chlorophenyl)sulfonyl-4-[4-(3-methylphenyl)piperazin-1-yl]thiolane 1,1-dioxide
PubChem CID124655620
Molecular FormulaC21H25ClN2O4S2
Molecular Weight469.03 g/mol
Exact Mass468.09
IUPAC Name(3S,4R)-3-(4-chlorophenyl)sulfonyl-4-[4-(3-methylphenyl)piperazin-1-yl]thiolane 1,1-dioxide
SMILESCc1cccc(N2CCN([C@@H]3CS(=O)(=O)C[C@H]3S(=O)(=O)c3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C21H25ClN2O4S2/c1-16-3-2-4-18(13-16)23-9-11-24(12-10-23)20-14-29(25,26)15-21(20)30(27,28)19-7-5-17(22)6-8-19/h2-8,13,20-21H,9-12,14-15H2,1H3/t20-,21-/m1/s1
InChIKeyWPDHLFJINYEXGF-NHCUHLMSSA-N
XLogP2.41
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.03
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3S,4R)-3-(4-chlorophenyl)sulfonyl-4-[4-(3-methylphenyl)piperazin-1-yl]thiolane 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

(3S,4R)-3-[4-(3-chlorophenyl)piperazin-1-yl]-4-(4-methoxy-3-methylphenyl)sulfonylthiolane 1,1-dioxide
CID 39775359
4-[4-(3-methylphenyl)piperazin-1-yl]-1,1-dioxothiolan-3-ol
CID 60703870
(3S,4R)-3-(4-methylphenyl)sulfonyl-4-pyrrolidin-1-ylthiolane 1,1-dioxide
CID 124654948
3-(4-methylphenyl)sulfonyl-4-morpholin-4-ylthiolane 1,1-dioxide
CID 56692775
(3S,4R)-3-(4-methylphenyl)sulfonyl-4-morpholin-4-ylthiolane 1,1-dioxide
CID 6552146
(3R,4S)-3-(4-fluoro-2-methylphenyl)sulfonyl-4-(4-phenylpiperazin-1-yl)thiolane 1,1-dioxide
CID 39775097
(3S,4R)-3-(4-chlorophenyl)sulfonyl-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)thiolane 1,1-dioxide
CID 125382234
(3R,4S)-3-(4-fluoro-3-methylphenyl)sulfonyl-4-morpholin-4-ylthiolane 1,1-dioxide
CID 20897972
(3R,4S)-3-(4-methoxy-2,5-dimethylphenyl)sulfonyl-4-(4-phenylpiperazin-1-yl)thiolane 1,1-dioxide
CID 39775554
1-(3-methylphenyl)-4-(4-methylsulfonylphenyl)piperazine
CID 171998032
(3R,4S)-3-(2-fluoro-5-methylphenyl)sulfonyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]thiolane 1,1-dioxide
CID 39774996
(3R,4S)-3-(benzenesulfonyl)-4-(4-methylpiperidin-1-yl)thiolane 1,1-dioxide
CID 20897733

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-(4-chlorophenyl)sulfonyl-4-[4-(3-methylphenyl)piperazin-1-yl]thiolane 1,1-dioxide?
The IUPAC name of (3S,4R)-3-(4-chlorophenyl)sulfonyl-4-[4-(3-methylphenyl)piperazin-1-yl]thiolane 1,1-dioxide (CID 124655620) is (3S,4R)-3-(4-chlorophenyl)sulfonyl-4-[4-(3-methylphenyl)piperazin-1-yl]thiolane 1,1-dioxide.
What is the SMILES notation for (3S,4R)-3-(4-chlorophenyl)sulfonyl-4-[4-(3-methylphenyl)piperazin-1-yl]thiolane 1,1-dioxide?
The canonical SMILES for (3S,4R)-3-(4-chlorophenyl)sulfonyl-4-[4-(3-methylphenyl)piperazin-1-yl]thiolane 1,1-dioxide is Cc1cccc(N2CCN([C@@H]3CS(=O)(=O)C[C@H]3S(=O)(=O)c3ccc(Cl)cc3)CC2)c1.
What is the InChIKey of (3S,4R)-3-(4-chlorophenyl)sulfonyl-4-[4-(3-methylphenyl)piperazin-1-yl]thiolane 1,1-dioxide?
The InChIKey is WPDHLFJINYEXGF-NHCUHLMSSA-N. The full InChI is InChI=1S/C21H25ClN2O4S2/c1-16-3-2-4-18(13-16)23-9-11-24(12-10-23)20-14-29(25,26)15-21(20)30(27,28)19-7-5-17(22)6-8-19/h2-8,13,20-21H,9-12,14-15H2,1H3/t20-,21-/m1/s1.
What are the key properties of (3S,4R)-3-(4-chlorophenyl)sulfonyl-4-[4-(3-methylphenyl)piperazin-1-yl]thiolane 1,1-dioxide?
(3S,4R)-3-(4-chlorophenyl)sulfonyl-4-[4-(3-methylphenyl)piperazin-1-yl]thiolane 1,1-dioxide has a molecular weight of 469.03 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-(4-chlorophenyl)sulfonyl-4-[4-(3-methylphenyl)piperazin-1-yl]thiolane 1,1-dioxide is sourced from PubChem (CID 124655620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).