2-naphthalen-2-ylsulfonyl-1-pyrrolidin-1-ylethanone

C16H17NO3S — CID 851310

IUPAC2-naphthalen-2-ylsulfonyl-1-pyrrolidin-1-ylethanone
SMILESO=C(CS(=O)(=O)c1ccc2ccccc2c1)N1CCCC1
InChIInChI=1S/C16H17NO3S/c18-16(17-9-3-4-10-17)12-21(19,20)15-8-7-13-5-1-2-6-14(13)11-15/h1-2,5-8,11H,3-4,9-10,12H2
InChIKeyYNKUXEXZXRTSFV-UHFFFAOYSA-N
MW303.38 g/mol
LogP2.24
Rot. Bonds3

About 2-naphthalen-2-ylsulfonyl-1-pyrrolidin-1-ylethanone

2-naphthalen-2-ylsulfonyl-1-pyrrolidin-1-ylethanone (PubChem CID 851310) has the molecular formula C16H17NO3S and a molecular weight of 303.38 g/mol. Its IUPAC name is 2-naphthalen-2-ylsulfonyl-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-naphthalen-2-ylsulfonyl-1-pyrrolidin-1-ylethanone
PubChem CID851310
Molecular FormulaC16H17NO3S
Molecular Weight303.38 g/mol
Exact Mass303.09
IUPAC Name2-naphthalen-2-ylsulfonyl-1-pyrrolidin-1-ylethanone
SMILESO=C(CS(=O)(=O)c1ccc2ccccc2c1)N1CCCC1
InChIInChI=1S/C16H17NO3S/c18-16(17-9-3-4-10-17)12-21(19,20)15-8-7-13-5-1-2-6-14(13)11-15/h1-2,5-8,11H,3-4,9-10,12H2
InChIKeyYNKUXEXZXRTSFV-UHFFFAOYSA-N
XLogP2.24
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylphenyl)sulfonyl-1-piperidin-1-ylethanone
CID 56731899
3-(naphthalen-2-ylsulfonylamino)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide
CID 17459741
(2R)-1-(azepan-1-yl)-2-naphthalen-2-ylsulfonylpropan-1-one
CID 94149675
4-(naphthalen-2-ylsulfonylamino)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)butanamide
CID 39948497
1-(azepan-1-yl)-2-naphthalen-2-ylsulfanylethanone
CID 56736237
2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfonylbenzoic acid
CID 24696772
2-[methyl(naphthalen-2-yl)amino]-1-pyrrolidin-1-ylethanone
CID 78790285
2-naphthalen-2-ylsulfonyl-N-(1,2,4-triazol-4-yl)acetamide
CID 3938080
1-naphthalen-2-ylsulfonylpyrrolidine
CID 819722
N,N-diethyl-2-naphthalen-2-ylsulfonylacetamide
CID 56731913
N-[2-(pyrrolidine-1-carbonyl)phenyl]naphthalene-2-sulfonamide
CID 1095030
3,3-dimethyl-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)butan-1-one
CID 17478579

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-ylsulfonyl-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-naphthalen-2-ylsulfonyl-1-pyrrolidin-1-ylethanone (CID 851310) is 2-naphthalen-2-ylsulfonyl-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-naphthalen-2-ylsulfonyl-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-naphthalen-2-ylsulfonyl-1-pyrrolidin-1-ylethanone is O=C(CS(=O)(=O)c1ccc2ccccc2c1)N1CCCC1.
What is the InChIKey of 2-naphthalen-2-ylsulfonyl-1-pyrrolidin-1-ylethanone?
The InChIKey is YNKUXEXZXRTSFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3S/c18-16(17-9-3-4-10-17)12-21(19,20)15-8-7-13-5-1-2-6-14(13)11-15/h1-2,5-8,11H,3-4,9-10,12H2.
What are the key properties of 2-naphthalen-2-ylsulfonyl-1-pyrrolidin-1-ylethanone?
2-naphthalen-2-ylsulfonyl-1-pyrrolidin-1-ylethanone has a molecular weight of 303.38 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-ylsulfonyl-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 851310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).