4-[5-(benzenesulfonyl)thiophen-2-yl]sulfonylmorpholine

C14H15NO5S3 — CID 2820761

IUPAC4-[5-(benzenesulfonyl)thiophen-2-yl]sulfonylmorpholine
SMILESO=S(=O)(c1ccccc1)c1ccc(S(=O)(=O)N2CCOCC2)s1
InChIInChI=1S/C14H15NO5S3/c16-22(17,12-4-2-1-3-5-12)13-6-7-14(21-13)23(18,19)15-8-10-20-11-9-15/h1-7H,8-11H2
InChIKeyJILRSIIXTKTSLE-UHFFFAOYSA-N
MW373.48 g/mol
LogP1.60
Rot. Bonds4

About 4-[5-(benzenesulfonyl)thiophen-2-yl]sulfonylmorpholine

4-[5-(benzenesulfonyl)thiophen-2-yl]sulfonylmorpholine (PubChem CID 2820761) has the molecular formula C14H15NO5S3 and a molecular weight of 373.48 g/mol. Its IUPAC name is 4-[5-(benzenesulfonyl)thiophen-2-yl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[5-(benzenesulfonyl)thiophen-2-yl]sulfonylmorpholine
PubChem CID2820761
Molecular FormulaC14H15NO5S3
Molecular Weight373.48 g/mol
Exact Mass373.01
IUPAC Name4-[5-(benzenesulfonyl)thiophen-2-yl]sulfonylmorpholine
SMILESO=S(=O)(c1ccccc1)c1ccc(S(=O)(=O)N2CCOCC2)s1
InChIInChI=1S/C14H15NO5S3/c16-22(17,12-4-2-1-3-5-12)13-6-7-14(21-13)23(18,19)15-8-10-20-11-9-15/h1-7H,8-11H2
InChIKeyJILRSIIXTKTSLE-UHFFFAOYSA-N
XLogP1.60
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(benzenesulfonyl)thiophen-2-yl]sulfonylmorpholine?
The IUPAC name of 4-[5-(benzenesulfonyl)thiophen-2-yl]sulfonylmorpholine (CID 2820761) is 4-[5-(benzenesulfonyl)thiophen-2-yl]sulfonylmorpholine.
What is the SMILES notation for 4-[5-(benzenesulfonyl)thiophen-2-yl]sulfonylmorpholine?
The canonical SMILES for 4-[5-(benzenesulfonyl)thiophen-2-yl]sulfonylmorpholine is O=S(=O)(c1ccccc1)c1ccc(S(=O)(=O)N2CCOCC2)s1.
What is the InChIKey of 4-[5-(benzenesulfonyl)thiophen-2-yl]sulfonylmorpholine?
The InChIKey is JILRSIIXTKTSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO5S3/c16-22(17,12-4-2-1-3-5-12)13-6-7-14(21-13)23(18,19)15-8-10-20-11-9-15/h1-7H,8-11H2.
What are the key properties of 4-[5-(benzenesulfonyl)thiophen-2-yl]sulfonylmorpholine?
4-[5-(benzenesulfonyl)thiophen-2-yl]sulfonylmorpholine has a molecular weight of 373.48 g/mol, XLogP of 1.60, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(benzenesulfonyl)thiophen-2-yl]sulfonylmorpholine is sourced from PubChem (CID 2820761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).