4-[4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]phenyl]sulfonylmorpholine

C19H17ClN2O3S2 — CID 2805833

IUPAC4-[4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]phenyl]sulfonylmorpholine
SMILESO=S(=O)(c1ccc(-c2nc(-c3ccc(Cl)cc3)cs2)cc1)N1CCOCC1
InChIInChI=1S/C19H17ClN2O3S2/c20-16-5-1-14(2-6-16)18-13-26-19(21-18)15-3-7-17(8-4-15)27(23,24)22-9-11-25-12-10-22/h1-8,13H,9-12H2
InChIKeyOMKBNDBXKPZLSE-UHFFFAOYSA-N
MW420.94 g/mol
LogP4.15
Rot. Bonds4

About 4-[4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]phenyl]sulfonylmorpholine

4-[4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]phenyl]sulfonylmorpholine (PubChem CID 2805833) has the molecular formula C19H17ClN2O3S2 and a molecular weight of 420.94 g/mol. Its IUPAC name is 4-[4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]phenyl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]phenyl]sulfonylmorpholine
PubChem CID2805833
Molecular FormulaC19H17ClN2O3S2
Molecular Weight420.94 g/mol
Exact Mass420.04
IUPAC Name4-[4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]phenyl]sulfonylmorpholine
SMILESO=S(=O)(c1ccc(-c2nc(-c3ccc(Cl)cc3)cs2)cc1)N1CCOCC1
InChIInChI=1S/C19H17ClN2O3S2/c20-16-5-1-14(2-6-16)18-13-26-19(21-18)15-3-7-17(8-4-15)27(23,24)22-9-11-25-12-10-22/h1-8,13H,9-12H2
InChIKeyOMKBNDBXKPZLSE-UHFFFAOYSA-N
XLogP4.15
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.94
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]phenyl]sulfonylmorpholine?
The IUPAC name of 4-[4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]phenyl]sulfonylmorpholine (CID 2805833) is 4-[4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]phenyl]sulfonylmorpholine.
What is the SMILES notation for 4-[4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]phenyl]sulfonylmorpholine?
The canonical SMILES for 4-[4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]phenyl]sulfonylmorpholine is O=S(=O)(c1ccc(-c2nc(-c3ccc(Cl)cc3)cs2)cc1)N1CCOCC1.
What is the InChIKey of 4-[4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]phenyl]sulfonylmorpholine?
The InChIKey is OMKBNDBXKPZLSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O3S2/c20-16-5-1-14(2-6-16)18-13-26-19(21-18)15-3-7-17(8-4-15)27(23,24)22-9-11-25-12-10-22/h1-8,13H,9-12H2.
What are the key properties of 4-[4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]phenyl]sulfonylmorpholine?
4-[4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]phenyl]sulfonylmorpholine has a molecular weight of 420.94 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]phenyl]sulfonylmorpholine is sourced from PubChem (CID 2805833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).