5-oxo-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidine-3-sulfonamide

C14H18N2O3S — CID 168716641

IUPAC5-oxo-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidine-3-sulfonamide
SMILESNS(=O)(=O)C1CC(=O)N(C2CCc3ccccc3C2)C1
InChIInChI=1S/C14H18N2O3S/c15-20(18,19)13-8-14(17)16(9-13)12-6-5-10-3-1-2-4-11(10)7-12/h1-4,12-13H,5-9H2,(H2,15,18,19)
InChIKeyQEYBVGBDJBVJNL-UHFFFAOYSA-N
MW294.38 g/mol
LogP0.43
Rot. Bonds2

About 5-oxo-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidine-3-sulfonamide

5-oxo-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidine-3-sulfonamide (PubChem CID 168716641) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is 5-oxo-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name5-oxo-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidine-3-sulfonamide
PubChem CID168716641
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name5-oxo-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidine-3-sulfonamide
SMILESNS(=O)(=O)C1CC(=O)N(C2CCc3ccccc3C2)C1
InChIInChI=1S/C14H18N2O3S/c15-20(18,19)13-8-14(17)16(9-13)12-6-5-10-3-1-2-4-11(10)7-12/h1-4,12-13H,5-9H2,(H2,15,18,19)
InChIKeyQEYBVGBDJBVJNL-UHFFFAOYSA-N
XLogP0.43
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidine-3-sulfonamide?
The IUPAC name of 5-oxo-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidine-3-sulfonamide (CID 168716641) is 5-oxo-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidine-3-sulfonamide.
What is the SMILES notation for 5-oxo-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidine-3-sulfonamide?
The canonical SMILES for 5-oxo-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidine-3-sulfonamide is NS(=O)(=O)C1CC(=O)N(C2CCc3ccccc3C2)C1.
What is the InChIKey of 5-oxo-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidine-3-sulfonamide?
The InChIKey is QEYBVGBDJBVJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c15-20(18,19)13-8-14(17)16(9-13)12-6-5-10-3-1-2-4-11(10)7-12/h1-4,12-13H,5-9H2,(H2,15,18,19).
What are the key properties of 5-oxo-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidine-3-sulfonamide?
5-oxo-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidine-3-sulfonamide has a molecular weight of 294.38 g/mol, XLogP of 0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidine-3-sulfonamide is sourced from PubChem (CID 168716641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).