N-naphthalen-2-ylpyrrolidine-3-sulfonamide

C14H16N2O2S — CID 65420043

IUPACN-naphthalen-2-ylpyrrolidine-3-sulfonamide
SMILESO=S(=O)(Nc1ccc2ccccc2c1)C1CCNC1
InChIInChI=1S/C14H16N2O2S/c17-19(18,14-7-8-15-10-14)16-13-6-5-11-3-1-2-4-12(11)9-13/h1-6,9,14-16H,7-8,10H2
InChIKeyKPWIVECTJJKWDC-UHFFFAOYSA-N
MW276.36 g/mol
LogP1.94
Rot. Bonds3

About N-naphthalen-2-ylpyrrolidine-3-sulfonamide

N-naphthalen-2-ylpyrrolidine-3-sulfonamide (PubChem CID 65420043) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is N-naphthalen-2-ylpyrrolidine-3-sulfonamide.

Molecular Properties

Compound NameN-naphthalen-2-ylpyrrolidine-3-sulfonamide
PubChem CID65420043
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC NameN-naphthalen-2-ylpyrrolidine-3-sulfonamide
SMILESO=S(=O)(Nc1ccc2ccccc2c1)C1CCNC1
InChIInChI=1S/C14H16N2O2S/c17-19(18,14-7-8-15-10-14)16-13-6-5-11-3-1-2-4-12(11)9-13/h1-6,9,14-16H,7-8,10H2
InChIKeyKPWIVECTJJKWDC-UHFFFAOYSA-N
XLogP1.94
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-ylpyrrolidine-3-sulfonamide?
The IUPAC name of N-naphthalen-2-ylpyrrolidine-3-sulfonamide (CID 65420043) is N-naphthalen-2-ylpyrrolidine-3-sulfonamide.
What is the SMILES notation for N-naphthalen-2-ylpyrrolidine-3-sulfonamide?
The canonical SMILES for N-naphthalen-2-ylpyrrolidine-3-sulfonamide is O=S(=O)(Nc1ccc2ccccc2c1)C1CCNC1.
What is the InChIKey of N-naphthalen-2-ylpyrrolidine-3-sulfonamide?
The InChIKey is KPWIVECTJJKWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c17-19(18,14-7-8-15-10-14)16-13-6-5-11-3-1-2-4-12(11)9-13/h1-6,9,14-16H,7-8,10H2.
What are the key properties of N-naphthalen-2-ylpyrrolidine-3-sulfonamide?
N-naphthalen-2-ylpyrrolidine-3-sulfonamide has a molecular weight of 276.36 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-2-ylpyrrolidine-3-sulfonamide is sourced from PubChem (CID 65420043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).