1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide

C15H16N2O3S — CID 2975227

IUPAC1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C15H16N2O3S/c16-15(18)14-6-3-9-17(14)21(19,20)13-8-7-11-4-1-2-5-12(11)10-13/h1-2,4-5,7-8,10,14H,3,6,9H2,(H2,16,18)
InChIKeyLKHVSOOVOWLMNX-UHFFFAOYSA-N
MW304.37 g/mol
LogP1.48
Rot. Bonds3

About 1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide

1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide (PubChem CID 2975227) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is 1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
PubChem CID2975227
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C15H16N2O3S/c16-15(18)14-6-3-9-17(14)21(19,20)13-8-7-11-4-1-2-5-12(11)10-13/h1-2,4-5,7-8,10,14H,3,6,9H2,(H2,16,18)
InChIKeyLKHVSOOVOWLMNX-UHFFFAOYSA-N
XLogP1.48
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide?
The IUPAC name of 1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide (CID 2975227) is 1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide is NC(=O)C1CCCN1S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of 1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide?
The InChIKey is LKHVSOOVOWLMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c16-15(18)14-6-3-9-17(14)21(19,20)13-8-7-11-4-1-2-5-12(11)10-13/h1-2,4-5,7-8,10,14H,3,6,9H2,(H2,16,18).
What are the key properties of 1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide?
1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide has a molecular weight of 304.37 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 2975227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).