[3-(azetidin-1-ylsulfonyl)phenyl]-pyrrolidin-1-ylmethanone

C14H18N2O3S — CID 142545287

IUPAC[3-(azetidin-1-ylsulfonyl)phenyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cccc(S(=O)(=O)N2CCC2)c1)N1CCCC1
InChIInChI=1S/C14H18N2O3S/c17-14(15-7-1-2-8-15)12-5-3-6-13(11-12)20(18,19)16-9-4-10-16/h3,5-6,11H,1-2,4,7-10H2
InChIKeyQUKBECGNBLFNLL-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.32
Rot. Bonds3

About [3-(azetidin-1-ylsulfonyl)phenyl]-pyrrolidin-1-ylmethanone

[3-(azetidin-1-ylsulfonyl)phenyl]-pyrrolidin-1-ylmethanone (PubChem CID 142545287) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is [3-(azetidin-1-ylsulfonyl)phenyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[3-(azetidin-1-ylsulfonyl)phenyl]-pyrrolidin-1-ylmethanone
PubChem CID142545287
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name[3-(azetidin-1-ylsulfonyl)phenyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cccc(S(=O)(=O)N2CCC2)c1)N1CCCC1
InChIInChI=1S/C14H18N2O3S/c17-14(15-7-1-2-8-15)12-5-3-6-13(11-12)20(18,19)16-9-4-10-16/h3,5-6,11H,1-2,4,7-10H2
InChIKeyQUKBECGNBLFNLL-UHFFFAOYSA-N
XLogP1.32
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

azocan-1-yl-(3-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 8502510
[3-(azepan-1-ylsulfonyl)phenyl]-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone
CID 24627712
4-[3-(pyrrolidine-1-carbonyl)phenyl]sulfonylpiperazine-1-carbaldehyde
CID 109063117
(4-phenylpiperidin-1-yl)-(3-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 24660134
morpholin-4-yl-(3-morpholin-4-ylsulfonylphenyl)methanone
CID 743019
(3S)-1-[3-(azepan-1-ylsulfonyl)benzoyl]piperidine-3-carboxamide
CID 9395607
tert-butyl 4-(3-pyrrolidin-1-ylsulfonylbenzoyl)piperazine-1-carboxylate
CID 31517353
3-pyrrolidin-1-ylsulfonylbenzoyl chloride
CID 18801888
azetidin-1-yl-[3-[(3S)-3-piperidin-1-ylpyrrolidin-1-yl]sulfonylphenyl]methanone
CID 99940561
[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-(3-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 34744032
[4-(2-methylphenyl)piperazin-1-yl]-(3-piperidin-1-ylsulfonylphenyl)methanone
CID 9153252
4-[3-(azepan-1-ylsulfonyl)benzoyl]-N,N-diethylpiperazine-1-sulfonamide
CID 24584449

Frequently Asked Questions

What is the IUPAC name of [3-(azetidin-1-ylsulfonyl)phenyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [3-(azetidin-1-ylsulfonyl)phenyl]-pyrrolidin-1-ylmethanone (CID 142545287) is [3-(azetidin-1-ylsulfonyl)phenyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [3-(azetidin-1-ylsulfonyl)phenyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [3-(azetidin-1-ylsulfonyl)phenyl]-pyrrolidin-1-ylmethanone is O=C(c1cccc(S(=O)(=O)N2CCC2)c1)N1CCCC1.
What is the InChIKey of [3-(azetidin-1-ylsulfonyl)phenyl]-pyrrolidin-1-ylmethanone?
The InChIKey is QUKBECGNBLFNLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c17-14(15-7-1-2-8-15)12-5-3-6-13(11-12)20(18,19)16-9-4-10-16/h3,5-6,11H,1-2,4,7-10H2.
What are the key properties of [3-(azetidin-1-ylsulfonyl)phenyl]-pyrrolidin-1-ylmethanone?
[3-(azetidin-1-ylsulfonyl)phenyl]-pyrrolidin-1-ylmethanone has a molecular weight of 294.38 g/mol, XLogP of 1.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(azetidin-1-ylsulfonyl)phenyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 142545287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).