cyclohexyl 5-(4-chlorophenyl)sulfinylthiadiazole-4-carboxylate

C15H15ClN2O3S2 — CID 3421583

IUPACcyclohexyl 5-(4-chlorophenyl)sulfinylthiadiazole-4-carboxylate
SMILESO=C(OC1CCCCC1)c1nnsc1S(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H15ClN2O3S2/c16-10-6-8-12(9-7-10)23(20)15-13(17-18-22-15)14(19)21-11-4-2-1-3-5-11/h6-9,11H,1-5H2
InChIKeyDIBGWVIEMYJBBR-UHFFFAOYSA-N
MW370.88 g/mol
LogP3.85
Rot. Bonds4

About cyclohexyl 5-(4-chlorophenyl)sulfinylthiadiazole-4-carboxylate

cyclohexyl 5-(4-chlorophenyl)sulfinylthiadiazole-4-carboxylate (PubChem CID 3421583) has the molecular formula C15H15ClN2O3S2 and a molecular weight of 370.88 g/mol. Its IUPAC name is cyclohexyl 5-(4-chlorophenyl)sulfinylthiadiazole-4-carboxylate.

Molecular Properties

Compound Namecyclohexyl 5-(4-chlorophenyl)sulfinylthiadiazole-4-carboxylate
PubChem CID3421583
Molecular FormulaC15H15ClN2O3S2
Molecular Weight370.88 g/mol
Exact Mass370.02
IUPAC Namecyclohexyl 5-(4-chlorophenyl)sulfinylthiadiazole-4-carboxylate
SMILESO=C(OC1CCCCC1)c1nnsc1S(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H15ClN2O3S2/c16-10-6-8-12(9-7-10)23(20)15-13(17-18-22-15)14(19)21-11-4-2-1-3-5-11/h6-9,11H,1-5H2
InChIKeyDIBGWVIEMYJBBR-UHFFFAOYSA-N
XLogP3.85
TPSA69.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl 5-(4-chlorophenyl)sulfinylthiadiazole-4-carboxylate?
The IUPAC name of cyclohexyl 5-(4-chlorophenyl)sulfinylthiadiazole-4-carboxylate (CID 3421583) is cyclohexyl 5-(4-chlorophenyl)sulfinylthiadiazole-4-carboxylate.
What is the SMILES notation for cyclohexyl 5-(4-chlorophenyl)sulfinylthiadiazole-4-carboxylate?
The canonical SMILES for cyclohexyl 5-(4-chlorophenyl)sulfinylthiadiazole-4-carboxylate is O=C(OC1CCCCC1)c1nnsc1S(=O)c1ccc(Cl)cc1.
What is the InChIKey of cyclohexyl 5-(4-chlorophenyl)sulfinylthiadiazole-4-carboxylate?
The InChIKey is DIBGWVIEMYJBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3S2/c16-10-6-8-12(9-7-10)23(20)15-13(17-18-22-15)14(19)21-11-4-2-1-3-5-11/h6-9,11H,1-5H2.
What are the key properties of cyclohexyl 5-(4-chlorophenyl)sulfinylthiadiazole-4-carboxylate?
cyclohexyl 5-(4-chlorophenyl)sulfinylthiadiazole-4-carboxylate has a molecular weight of 370.88 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 5-(4-chlorophenyl)sulfinylthiadiazole-4-carboxylate is sourced from PubChem (CID 3421583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).