4-pyrrolidin-1-ylnaphthalene-1-sulfonamide

C14H16N2O2S — CID 69225532

IUPAC4-pyrrolidin-1-ylnaphthalene-1-sulfonamide
SMILESNS(=O)(=O)c1ccc(N2CCCC2)c2ccccc12
InChIInChI=1S/C14H16N2O2S/c15-19(17,18)14-8-7-13(16-9-3-4-10-16)11-5-1-2-6-12(11)14/h1-2,5-8H,3-4,9-10H2,(H2,15,17,18)
InChIKeyOJXZOIJOKSXOPA-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.09
Rot. Bonds2

About 4-pyrrolidin-1-ylnaphthalene-1-sulfonamide

4-pyrrolidin-1-ylnaphthalene-1-sulfonamide (PubChem CID 69225532) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 4-pyrrolidin-1-ylnaphthalene-1-sulfonamide.

Molecular Properties

Compound Name4-pyrrolidin-1-ylnaphthalene-1-sulfonamide
PubChem CID69225532
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name4-pyrrolidin-1-ylnaphthalene-1-sulfonamide
SMILESNS(=O)(=O)c1ccc(N2CCCC2)c2ccccc12
InChIInChI=1S/C14H16N2O2S/c15-19(17,18)14-8-7-13(16-9-3-4-10-16)11-5-1-2-6-12(11)14/h1-2,5-8H,3-4,9-10H2,(H2,15,17,18)
InChIKeyOJXZOIJOKSXOPA-UHFFFAOYSA-N
XLogP2.09
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-pyrrolidin-1-ylnaphthalene-1-sulfonamide?
The IUPAC name of 4-pyrrolidin-1-ylnaphthalene-1-sulfonamide (CID 69225532) is 4-pyrrolidin-1-ylnaphthalene-1-sulfonamide.
What is the SMILES notation for 4-pyrrolidin-1-ylnaphthalene-1-sulfonamide?
The canonical SMILES for 4-pyrrolidin-1-ylnaphthalene-1-sulfonamide is NS(=O)(=O)c1ccc(N2CCCC2)c2ccccc12.
What is the InChIKey of 4-pyrrolidin-1-ylnaphthalene-1-sulfonamide?
The InChIKey is OJXZOIJOKSXOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c15-19(17,18)14-8-7-13(16-9-3-4-10-16)11-5-1-2-6-12(11)14/h1-2,5-8H,3-4,9-10H2,(H2,15,17,18).
What are the key properties of 4-pyrrolidin-1-ylnaphthalene-1-sulfonamide?
4-pyrrolidin-1-ylnaphthalene-1-sulfonamide has a molecular weight of 276.36 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrrolidin-1-ylnaphthalene-1-sulfonamide is sourced from PubChem (CID 69225532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).