4-(5-chloro-4-morpholin-4-ylsulfonylthiophen-2-yl)sulfonylmorpholine

C12H17ClN2O6S3 — CID 2821016

IUPAC4-(5-chloro-4-morpholin-4-ylsulfonylthiophen-2-yl)sulfonylmorpholine
SMILESO=S(=O)(c1cc(S(=O)(=O)N2CCOCC2)c(Cl)s1)N1CCOCC1
InChIInChI=1S/C12H17ClN2O6S3/c13-12-10(23(16,17)14-1-5-20-6-2-14)9-11(22-12)24(18,19)15-3-7-21-8-4-15/h9H,1-8H2
InChIKeyBFJUTGOKEJFDCX-UHFFFAOYSA-N
MW416.93 g/mol
LogP0.44
Rot. Bonds4

About 4-(5-chloro-4-morpholin-4-ylsulfonylthiophen-2-yl)sulfonylmorpholine

4-(5-chloro-4-morpholin-4-ylsulfonylthiophen-2-yl)sulfonylmorpholine (PubChem CID 2821016) has the molecular formula C12H17ClN2O6S3 and a molecular weight of 416.93 g/mol. Its IUPAC name is 4-(5-chloro-4-morpholin-4-ylsulfonylthiophen-2-yl)sulfonylmorpholine.

Molecular Properties

Compound Name4-(5-chloro-4-morpholin-4-ylsulfonylthiophen-2-yl)sulfonylmorpholine
PubChem CID2821016
Molecular FormulaC12H17ClN2O6S3
Molecular Weight416.93 g/mol
Exact Mass415.99
IUPAC Name4-(5-chloro-4-morpholin-4-ylsulfonylthiophen-2-yl)sulfonylmorpholine
SMILESO=S(=O)(c1cc(S(=O)(=O)N2CCOCC2)c(Cl)s1)N1CCOCC1
InChIInChI=1S/C12H17ClN2O6S3/c13-12-10(23(16,17)14-1-5-20-6-2-14)9-11(22-12)24(18,19)15-3-7-21-8-4-15/h9H,1-8H2
InChIKeyBFJUTGOKEJFDCX-UHFFFAOYSA-N
XLogP0.44
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.93
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-4-morpholin-4-ylsulfonylthiophen-2-yl)sulfonylmorpholine?
The IUPAC name of 4-(5-chloro-4-morpholin-4-ylsulfonylthiophen-2-yl)sulfonylmorpholine (CID 2821016) is 4-(5-chloro-4-morpholin-4-ylsulfonylthiophen-2-yl)sulfonylmorpholine.
What is the SMILES notation for 4-(5-chloro-4-morpholin-4-ylsulfonylthiophen-2-yl)sulfonylmorpholine?
The canonical SMILES for 4-(5-chloro-4-morpholin-4-ylsulfonylthiophen-2-yl)sulfonylmorpholine is O=S(=O)(c1cc(S(=O)(=O)N2CCOCC2)c(Cl)s1)N1CCOCC1.
What is the InChIKey of 4-(5-chloro-4-morpholin-4-ylsulfonylthiophen-2-yl)sulfonylmorpholine?
The InChIKey is BFJUTGOKEJFDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O6S3/c13-12-10(23(16,17)14-1-5-20-6-2-14)9-11(22-12)24(18,19)15-3-7-21-8-4-15/h9H,1-8H2.
What are the key properties of 4-(5-chloro-4-morpholin-4-ylsulfonylthiophen-2-yl)sulfonylmorpholine?
4-(5-chloro-4-morpholin-4-ylsulfonylthiophen-2-yl)sulfonylmorpholine has a molecular weight of 416.93 g/mol, XLogP of 0.44, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-4-morpholin-4-ylsulfonylthiophen-2-yl)sulfonylmorpholine is sourced from PubChem (CID 2821016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).