1-(4-chlorophenyl)sulfonyl-5-phenylimidazolidine-2-thione

C15H13ClN2O2S2 — CID 10428123

IUPAC1-(4-chlorophenyl)sulfonyl-5-phenylimidazolidine-2-thione
SMILESO=S(=O)(c1ccc(Cl)cc1)N1C(=S)NCC1c1ccccc1
InChIInChI=1S/C15H13ClN2O2S2/c16-12-6-8-13(9-7-12)22(19,20)18-14(10-17-15(18)21)11-4-2-1-3-5-11/h1-9,14H,10H2,(H,17,21)
InChIKeyKJHAYBXCHPUQLH-UHFFFAOYSA-N
MW352.87 g/mol
LogP2.96
Rot. Bonds3

About 1-(4-chlorophenyl)sulfonyl-5-phenylimidazolidine-2-thione

1-(4-chlorophenyl)sulfonyl-5-phenylimidazolidine-2-thione (PubChem CID 10428123) has the molecular formula C15H13ClN2O2S2 and a molecular weight of 352.87 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-5-phenylimidazolidine-2-thione.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-5-phenylimidazolidine-2-thione
PubChem CID10428123
Molecular FormulaC15H13ClN2O2S2
Molecular Weight352.87 g/mol
Exact Mass352.01
IUPAC Name1-(4-chlorophenyl)sulfonyl-5-phenylimidazolidine-2-thione
SMILESO=S(=O)(c1ccc(Cl)cc1)N1C(=S)NCC1c1ccccc1
InChIInChI=1S/C15H13ClN2O2S2/c16-12-6-8-13(9-7-12)22(19,20)18-14(10-17-15(18)21)11-4-2-1-3-5-11/h1-9,14H,10H2,(H,17,21)
InChIKeyKJHAYBXCHPUQLH-UHFFFAOYSA-N
XLogP2.96
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.87
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

(4S)-3-(4-chlorophenyl)sulfonyl-4-phenyl-1,3-thiazolidine-2-thione
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1-(benzenesulfonyl)-2-phenylaziridine
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1-(4-chlorophenyl)sulfonyl-4-(2,6-dichlorophenyl)sulfonylpiperazine
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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-5-phenylimidazolidine-2-thione?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-5-phenylimidazolidine-2-thione (CID 10428123) is 1-(4-chlorophenyl)sulfonyl-5-phenylimidazolidine-2-thione.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-5-phenylimidazolidine-2-thione?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-5-phenylimidazolidine-2-thione is O=S(=O)(c1ccc(Cl)cc1)N1C(=S)NCC1c1ccccc1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-5-phenylimidazolidine-2-thione?
The InChIKey is KJHAYBXCHPUQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O2S2/c16-12-6-8-13(9-7-12)22(19,20)18-14(10-17-15(18)21)11-4-2-1-3-5-11/h1-9,14H,10H2,(H,17,21).
What are the key properties of 1-(4-chlorophenyl)sulfonyl-5-phenylimidazolidine-2-thione?
1-(4-chlorophenyl)sulfonyl-5-phenylimidazolidine-2-thione has a molecular weight of 352.87 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-5-phenylimidazolidine-2-thione is sourced from PubChem (CID 10428123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).