1-(4-fluorophenyl)sulfonyl-N-naphthalen-1-ylpyrrolidine-2-carboxamide

C21H19FN2O3S — CID 43814275

IUPAC1-(4-fluorophenyl)sulfonyl-N-naphthalen-1-ylpyrrolidine-2-carboxamide
SMILESO=C(Nc1cccc2ccccc12)C1CCCN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C21H19FN2O3S/c22-16-10-12-17(13-11-16)28(26,27)24-14-4-9-20(24)21(25)23-19-8-3-6-15-5-1-2-7-18(15)19/h1-3,5-8,10-13,20H,4,9,14H2,(H,23,25)
InChIKeyXUVUMSOMGHHTNK-UHFFFAOYSA-N
MW398.46 g/mol
LogP3.77
Rot. Bonds4

About 1-(4-fluorophenyl)sulfonyl-N-naphthalen-1-ylpyrrolidine-2-carboxamide

1-(4-fluorophenyl)sulfonyl-N-naphthalen-1-ylpyrrolidine-2-carboxamide (PubChem CID 43814275) has the molecular formula C21H19FN2O3S and a molecular weight of 398.46 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-N-naphthalen-1-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-N-naphthalen-1-ylpyrrolidine-2-carboxamide
PubChem CID43814275
Molecular FormulaC21H19FN2O3S
Molecular Weight398.46 g/mol
Exact Mass398.11
IUPAC Name1-(4-fluorophenyl)sulfonyl-N-naphthalen-1-ylpyrrolidine-2-carboxamide
SMILESO=C(Nc1cccc2ccccc12)C1CCCN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C21H19FN2O3S/c22-16-10-12-17(13-11-16)28(26,27)24-14-4-9-20(24)21(25)23-19-8-3-6-15-5-1-2-7-18(15)19/h1-3,5-8,10-13,20H,4,9,14H2,(H,23,25)
InChIKeyXUVUMSOMGHHTNK-UHFFFAOYSA-N
XLogP3.77
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-N-naphthalen-1-ylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-N-naphthalen-1-ylpyrrolidine-2-carboxamide (CID 43814275) is 1-(4-fluorophenyl)sulfonyl-N-naphthalen-1-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-N-naphthalen-1-ylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-N-naphthalen-1-ylpyrrolidine-2-carboxamide is O=C(Nc1cccc2ccccc12)C1CCCN1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-N-naphthalen-1-ylpyrrolidine-2-carboxamide?
The InChIKey is XUVUMSOMGHHTNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O3S/c22-16-10-12-17(13-11-16)28(26,27)24-14-4-9-20(24)21(25)23-19-8-3-6-15-5-1-2-7-18(15)19/h1-3,5-8,10-13,20H,4,9,14H2,(H,23,25).
What are the key properties of 1-(4-fluorophenyl)sulfonyl-N-naphthalen-1-ylpyrrolidine-2-carboxamide?
1-(4-fluorophenyl)sulfonyl-N-naphthalen-1-ylpyrrolidine-2-carboxamide has a molecular weight of 398.46 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-N-naphthalen-1-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 43814275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).