4-thiomorpholin-4-ylsulfonylbenzamide

C11H14N2O3S2 — CID 6463499

IUPAC4-thiomorpholin-4-ylsulfonylbenzamide
SMILESNC(=O)c1ccc(S(=O)(=O)N2CCSCC2)cc1
InChIInChI=1S/C11H14N2O3S2/c12-11(14)9-1-3-10(4-2-9)18(15,16)13-5-7-17-8-6-13/h1-4H,5-8H2,(H2,12,14)
InChIKeyQFAMCZLYCJTOMM-UHFFFAOYSA-N
MW286.38 g/mol
LogP0.52
Rot. Bonds3

About 4-thiomorpholin-4-ylsulfonylbenzamide

4-thiomorpholin-4-ylsulfonylbenzamide (PubChem CID 6463499) has the molecular formula C11H14N2O3S2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 4-thiomorpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound Name4-thiomorpholin-4-ylsulfonylbenzamide
PubChem CID6463499
Molecular FormulaC11H14N2O3S2
Molecular Weight286.38 g/mol
Exact Mass286.04
IUPAC Name4-thiomorpholin-4-ylsulfonylbenzamide
SMILESNC(=O)c1ccc(S(=O)(=O)N2CCSCC2)cc1
InChIInChI=1S/C11H14N2O3S2/c12-11(14)9-1-3-10(4-2-9)18(15,16)13-5-7-17-8-6-13/h1-4H,5-8H2,(H2,12,14)
InChIKeyQFAMCZLYCJTOMM-UHFFFAOYSA-N
XLogP0.52
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-thiomorpholin-4-ylsulfonylbenzamide?
The IUPAC name of 4-thiomorpholin-4-ylsulfonylbenzamide (CID 6463499) is 4-thiomorpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for 4-thiomorpholin-4-ylsulfonylbenzamide?
The canonical SMILES for 4-thiomorpholin-4-ylsulfonylbenzamide is NC(=O)c1ccc(S(=O)(=O)N2CCSCC2)cc1.
What is the InChIKey of 4-thiomorpholin-4-ylsulfonylbenzamide?
The InChIKey is QFAMCZLYCJTOMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S2/c12-11(14)9-1-3-10(4-2-9)18(15,16)13-5-7-17-8-6-13/h1-4H,5-8H2,(H2,12,14).
What are the key properties of 4-thiomorpholin-4-ylsulfonylbenzamide?
4-thiomorpholin-4-ylsulfonylbenzamide has a molecular weight of 286.38 g/mol, XLogP of 0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-thiomorpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 6463499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).