2-(4-fluorophenyl)-1-[3-(1-methylimidazol-2-yl)sulfonylazetidin-1-yl]ethanone

C15H16FN3O3S — CID 91814537

IUPAC2-(4-fluorophenyl)-1-[3-(1-methylimidazol-2-yl)sulfonylazetidin-1-yl]ethanone
SMILESCn1ccnc1S(=O)(=O)C1CN(C(=O)Cc2ccc(F)cc2)C1
InChIInChI=1S/C15H16FN3O3S/c1-18-7-6-17-15(18)23(21,22)13-9-19(10-13)14(20)8-11-2-4-12(16)5-3-11/h2-7,13H,8-10H2,1H3
InChIKeyCLNRANKVBMNEAG-UHFFFAOYSA-N
MW337.38 g/mol
LogP0.79
Rot. Bonds4

About 2-(4-fluorophenyl)-1-[3-(1-methylimidazol-2-yl)sulfonylazetidin-1-yl]ethanone

2-(4-fluorophenyl)-1-[3-(1-methylimidazol-2-yl)sulfonylazetidin-1-yl]ethanone (PubChem CID 91814537) has the molecular formula C15H16FN3O3S and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-[3-(1-methylimidazol-2-yl)sulfonylazetidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-[3-(1-methylimidazol-2-yl)sulfonylazetidin-1-yl]ethanone
PubChem CID91814537
Molecular FormulaC15H16FN3O3S
Molecular Weight337.38 g/mol
Exact Mass337.09
IUPAC Name2-(4-fluorophenyl)-1-[3-(1-methylimidazol-2-yl)sulfonylazetidin-1-yl]ethanone
SMILESCn1ccnc1S(=O)(=O)C1CN(C(=O)Cc2ccc(F)cc2)C1
InChIInChI=1S/C15H16FN3O3S/c1-18-7-6-17-15(18)23(21,22)13-9-19(10-13)14(20)8-11-2-4-12(16)5-3-11/h2-7,13H,8-10H2,1H3
InChIKeyCLNRANKVBMNEAG-UHFFFAOYSA-N
XLogP0.79
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[2-[3-(1-methylimidazol-2-yl)sulfonylazetidin-1-yl]-2-oxoethyl]phenyl]acetamide
CID 91814573
2-(4-fluorophenyl)-1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]ethanone
CID 90592908
2-(4-ethoxyphenyl)-1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]ethanone
CID 90592934
2-(4-chlorophenyl)-1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]ethanone
CID 90592926
1-(3-aminoazetidin-1-yl)-2-(4-fluorophenyl)ethanone
CID 63753631
1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(4-fluorophenyl)ethanone
CID 1121974
1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(4-fluorophenyl)ethanone
CID 1121972
1-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]azetidin-1-yl]-2-(4-propan-2-ylsulfanylphenyl)ethanone
CID 91814471
2-(4-fluorophenyl)-1-[(3S)-3-[[6-(1-methylimidazol-2-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]ethanone
CID 125017854
1-(3-aminopyrrolidin-1-yl)-2-(4-fluorophenyl)ethanone
CID 62069201
3-(furan-2-yl)-1-[3-(1-methylimidazol-2-yl)sulfonylazetidin-1-yl]prop-2-en-1-one
CID 171139188
2-(4-fluorophenyl)-N-(1-methylimidazol-2-yl)acetamide
CID 110472886

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-[3-(1-methylimidazol-2-yl)sulfonylazetidin-1-yl]ethanone?
The IUPAC name of 2-(4-fluorophenyl)-1-[3-(1-methylimidazol-2-yl)sulfonylazetidin-1-yl]ethanone (CID 91814537) is 2-(4-fluorophenyl)-1-[3-(1-methylimidazol-2-yl)sulfonylazetidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-fluorophenyl)-1-[3-(1-methylimidazol-2-yl)sulfonylazetidin-1-yl]ethanone?
The canonical SMILES for 2-(4-fluorophenyl)-1-[3-(1-methylimidazol-2-yl)sulfonylazetidin-1-yl]ethanone is Cn1ccnc1S(=O)(=O)C1CN(C(=O)Cc2ccc(F)cc2)C1.
What is the InChIKey of 2-(4-fluorophenyl)-1-[3-(1-methylimidazol-2-yl)sulfonylazetidin-1-yl]ethanone?
The InChIKey is CLNRANKVBMNEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O3S/c1-18-7-6-17-15(18)23(21,22)13-9-19(10-13)14(20)8-11-2-4-12(16)5-3-11/h2-7,13H,8-10H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-1-[3-(1-methylimidazol-2-yl)sulfonylazetidin-1-yl]ethanone?
2-(4-fluorophenyl)-1-[3-(1-methylimidazol-2-yl)sulfonylazetidin-1-yl]ethanone has a molecular weight of 337.38 g/mol, XLogP of 0.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-[3-(1-methylimidazol-2-yl)sulfonylazetidin-1-yl]ethanone is sourced from PubChem (CID 91814537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).