4-[4-(4-chlorophenyl)sulfonyl-2-methylsulfonyl-1,3-thiazol-5-yl]morpholine

C14H15ClN2O5S3 — CID 20888694

IUPAC4-[4-(4-chlorophenyl)sulfonyl-2-methylsulfonyl-1,3-thiazol-5-yl]morpholine
SMILESCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(Cl)cc2)c(N2CCOCC2)s1
InChIInChI=1S/C14H15ClN2O5S3/c1-24(18,19)14-16-12(13(23-14)17-6-8-22-9-7-17)25(20,21)11-4-2-10(15)3-5-11/h2-5H,6-9H2,1H3
InChIKeyGQGBVTSWNVXPRB-UHFFFAOYSA-N
MW422.94 g/mol
LogP1.87
Rot. Bonds4

About 4-[4-(4-chlorophenyl)sulfonyl-2-methylsulfonyl-1,3-thiazol-5-yl]morpholine

4-[4-(4-chlorophenyl)sulfonyl-2-methylsulfonyl-1,3-thiazol-5-yl]morpholine (PubChem CID 20888694) has the molecular formula C14H15ClN2O5S3 and a molecular weight of 422.94 g/mol. Its IUPAC name is 4-[4-(4-chlorophenyl)sulfonyl-2-methylsulfonyl-1,3-thiazol-5-yl]morpholine.

Molecular Properties

Compound Name4-[4-(4-chlorophenyl)sulfonyl-2-methylsulfonyl-1,3-thiazol-5-yl]morpholine
PubChem CID20888694
Molecular FormulaC14H15ClN2O5S3
Molecular Weight422.94 g/mol
Exact Mass421.98
IUPAC Name4-[4-(4-chlorophenyl)sulfonyl-2-methylsulfonyl-1,3-thiazol-5-yl]morpholine
SMILESCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(Cl)cc2)c(N2CCOCC2)s1
InChIInChI=1S/C14H15ClN2O5S3/c1-24(18,19)14-16-12(13(23-14)17-6-8-22-9-7-17)25(20,21)11-4-2-10(15)3-5-11/h2-5H,6-9H2,1H3
InChIKeyGQGBVTSWNVXPRB-UHFFFAOYSA-N
XLogP1.87
TPSA93.64 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.94
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-chlorophenyl)sulfonyl-2-methylsulfonyl-1,3-thiazol-5-yl]morpholine?
The IUPAC name of 4-[4-(4-chlorophenyl)sulfonyl-2-methylsulfonyl-1,3-thiazol-5-yl]morpholine (CID 20888694) is 4-[4-(4-chlorophenyl)sulfonyl-2-methylsulfonyl-1,3-thiazol-5-yl]morpholine.
What is the SMILES notation for 4-[4-(4-chlorophenyl)sulfonyl-2-methylsulfonyl-1,3-thiazol-5-yl]morpholine?
The canonical SMILES for 4-[4-(4-chlorophenyl)sulfonyl-2-methylsulfonyl-1,3-thiazol-5-yl]morpholine is CS(=O)(=O)c1nc(S(=O)(=O)c2ccc(Cl)cc2)c(N2CCOCC2)s1.
What is the InChIKey of 4-[4-(4-chlorophenyl)sulfonyl-2-methylsulfonyl-1,3-thiazol-5-yl]morpholine?
The InChIKey is GQGBVTSWNVXPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O5S3/c1-24(18,19)14-16-12(13(23-14)17-6-8-22-9-7-17)25(20,21)11-4-2-10(15)3-5-11/h2-5H,6-9H2,1H3.
What are the key properties of 4-[4-(4-chlorophenyl)sulfonyl-2-methylsulfonyl-1,3-thiazol-5-yl]morpholine?
4-[4-(4-chlorophenyl)sulfonyl-2-methylsulfonyl-1,3-thiazol-5-yl]morpholine has a molecular weight of 422.94 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-chlorophenyl)sulfonyl-2-methylsulfonyl-1,3-thiazol-5-yl]morpholine is sourced from PubChem (CID 20888694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).