1-(2-naphthalen-2-ylacetyl)pyrrolidine-3-sulfonamide

C16H18N2O3S — CID 154738536

IUPAC1-(2-naphthalen-2-ylacetyl)pyrrolidine-3-sulfonamide
SMILESNS(=O)(=O)C1CCN(C(=O)Cc2ccc3ccccc3c2)C1
InChIInChI=1S/C16H18N2O3S/c17-22(20,21)15-7-8-18(11-15)16(19)10-12-5-6-13-3-1-2-4-14(13)9-12/h1-6,9,15H,7-8,10-11H2,(H2,17,20,21)
InChIKeyXFMPWGWGUSXZDQ-UHFFFAOYSA-N
MW318.40 g/mol
LogP1.27
Rot. Bonds3

About 1-(2-naphthalen-2-ylacetyl)pyrrolidine-3-sulfonamide

1-(2-naphthalen-2-ylacetyl)pyrrolidine-3-sulfonamide (PubChem CID 154738536) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is 1-(2-naphthalen-2-ylacetyl)pyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name1-(2-naphthalen-2-ylacetyl)pyrrolidine-3-sulfonamide
PubChem CID154738536
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC Name1-(2-naphthalen-2-ylacetyl)pyrrolidine-3-sulfonamide
SMILESNS(=O)(=O)C1CCN(C(=O)Cc2ccc3ccccc3c2)C1
InChIInChI=1S/C16H18N2O3S/c17-22(20,21)15-7-8-18(11-15)16(19)10-12-5-6-13-3-1-2-4-14(13)9-12/h1-6,9,15H,7-8,10-11H2,(H2,17,20,21)
InChIKeyXFMPWGWGUSXZDQ-UHFFFAOYSA-N
XLogP1.27
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-amino-3-methylpiperidin-1-yl)-2-naphthalen-2-ylethanone
CID 79873716
1-(3-aminopiperidin-1-yl)-2-naphthalen-2-ylethanone
CID 61297397
1-(3-hydroxypiperidin-1-yl)-2-naphthalen-2-ylethanone
CID 43391540
1-[3-(bromomethyl)piperidin-1-yl]-2-naphthalen-2-ylethanone
CID 80659130
1-(4-chloro-3-methylpiperidin-1-yl)-2-naphthalen-2-ylethanone
CID 114682890
1-(4-acetylpiperazin-1-yl)-2-naphthalen-2-ylethanone
CID 51161828
1-[4-(methylaminomethyl)piperidin-1-yl]-2-naphthalen-2-ylethanone;hydrochloride
CID 119542656
1-[2-(hydroxymethyl)morpholin-4-yl]-2-naphthalen-2-ylethanone
CID 81196890
4-methyl-N-[[(3S)-1-(2-naphthalen-2-ylacetyl)piperidin-3-yl]methyl]benzenesulfonamide
CID 52522304
1-[(3R)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-2-naphthalen-2-ylethanone
CID 125013817
5-(2-naphthalen-2-ylacetyl)-1,1-dioxo-3a,4,6,7-tetrahydro-[1,2,5]thiadiazolo[2,3-a]pyrazin-3-one
CID 171680204
1-(4-acetyl-1,4-diazepan-1-yl)-2-naphthalen-2-ylethanone
CID 134061666

Frequently Asked Questions

What is the IUPAC name of 1-(2-naphthalen-2-ylacetyl)pyrrolidine-3-sulfonamide?
The IUPAC name of 1-(2-naphthalen-2-ylacetyl)pyrrolidine-3-sulfonamide (CID 154738536) is 1-(2-naphthalen-2-ylacetyl)pyrrolidine-3-sulfonamide.
What is the SMILES notation for 1-(2-naphthalen-2-ylacetyl)pyrrolidine-3-sulfonamide?
The canonical SMILES for 1-(2-naphthalen-2-ylacetyl)pyrrolidine-3-sulfonamide is NS(=O)(=O)C1CCN(C(=O)Cc2ccc3ccccc3c2)C1.
What is the InChIKey of 1-(2-naphthalen-2-ylacetyl)pyrrolidine-3-sulfonamide?
The InChIKey is XFMPWGWGUSXZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c17-22(20,21)15-7-8-18(11-15)16(19)10-12-5-6-13-3-1-2-4-14(13)9-12/h1-6,9,15H,7-8,10-11H2,(H2,17,20,21).
What are the key properties of 1-(2-naphthalen-2-ylacetyl)pyrrolidine-3-sulfonamide?
1-(2-naphthalen-2-ylacetyl)pyrrolidine-3-sulfonamide has a molecular weight of 318.40 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-naphthalen-2-ylacetyl)pyrrolidine-3-sulfonamide is sourced from PubChem (CID 154738536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).