N-naphthalen-1-ylpyrrolidine-1-sulfonamide

C14H16N2O2S — CID 713198

IUPACN-naphthalen-1-ylpyrrolidine-1-sulfonamide
SMILESO=S(=O)(Nc1cccc2ccccc12)N1CCCC1
InChIInChI=1S/C14H16N2O2S/c17-19(18,16-10-3-4-11-16)15-14-9-5-7-12-6-1-2-8-13(12)14/h1-2,5-9,15H,3-4,10-11H2
InChIKeyQEYRUJWUCUZTMI-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.59
Rot. Bonds3

About N-naphthalen-1-ylpyrrolidine-1-sulfonamide

N-naphthalen-1-ylpyrrolidine-1-sulfonamide (PubChem CID 713198) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is N-naphthalen-1-ylpyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-naphthalen-1-ylpyrrolidine-1-sulfonamide
PubChem CID713198
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC NameN-naphthalen-1-ylpyrrolidine-1-sulfonamide
SMILESO=S(=O)(Nc1cccc2ccccc12)N1CCCC1
InChIInChI=1S/C14H16N2O2S/c17-19(18,16-10-3-4-11-16)15-14-9-5-7-12-6-1-2-8-13(12)14/h1-2,5-9,15H,3-4,10-11H2
InChIKeyQEYRUJWUCUZTMI-UHFFFAOYSA-N
XLogP2.59
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-ylpyrrolidine-1-sulfonamide?
The IUPAC name of N-naphthalen-1-ylpyrrolidine-1-sulfonamide (CID 713198) is N-naphthalen-1-ylpyrrolidine-1-sulfonamide.
What is the SMILES notation for N-naphthalen-1-ylpyrrolidine-1-sulfonamide?
The canonical SMILES for N-naphthalen-1-ylpyrrolidine-1-sulfonamide is O=S(=O)(Nc1cccc2ccccc12)N1CCCC1.
What is the InChIKey of N-naphthalen-1-ylpyrrolidine-1-sulfonamide?
The InChIKey is QEYRUJWUCUZTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c17-19(18,16-10-3-4-11-16)15-14-9-5-7-12-6-1-2-8-13(12)14/h1-2,5-9,15H,3-4,10-11H2.
What are the key properties of N-naphthalen-1-ylpyrrolidine-1-sulfonamide?
N-naphthalen-1-ylpyrrolidine-1-sulfonamide has a molecular weight of 276.36 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-ylpyrrolidine-1-sulfonamide is sourced from PubChem (CID 713198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).