2-fluoro-5-(3-propylpyrrolidin-1-yl)sulfonylbenzonitrile

C14H17FN2O2S — CID 115667524

IUPAC2-fluoro-5-(3-propylpyrrolidin-1-yl)sulfonylbenzonitrile
SMILESCCCC1CCN(S(=O)(=O)c2ccc(F)c(C#N)c2)C1
InChIInChI=1S/C14H17FN2O2S/c1-2-3-11-6-7-17(10-11)20(18,19)13-4-5-14(15)12(8-13)9-16/h4-5,8,11H,2-3,6-7,10H2,1H3
InChIKeyDLNDEVSEYDMYPN-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.51
Rot. Bonds4

About 2-fluoro-5-(3-propylpyrrolidin-1-yl)sulfonylbenzonitrile

2-fluoro-5-(3-propylpyrrolidin-1-yl)sulfonylbenzonitrile (PubChem CID 115667524) has the molecular formula C14H17FN2O2S and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-fluoro-5-(3-propylpyrrolidin-1-yl)sulfonylbenzonitrile.

Molecular Properties

Compound Name2-fluoro-5-(3-propylpyrrolidin-1-yl)sulfonylbenzonitrile
PubChem CID115667524
Molecular FormulaC14H17FN2O2S
Molecular Weight296.37 g/mol
Exact Mass296.10
IUPAC Name2-fluoro-5-(3-propylpyrrolidin-1-yl)sulfonylbenzonitrile
SMILESCCCC1CCN(S(=O)(=O)c2ccc(F)c(C#N)c2)C1
InChIInChI=1S/C14H17FN2O2S/c1-2-3-11-6-7-17(10-11)20(18,19)13-4-5-14(15)12(8-13)9-16/h4-5,8,11H,2-3,6-7,10H2,1H3
InChIKeyDLNDEVSEYDMYPN-UHFFFAOYSA-N
XLogP2.51
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-aminopiperidin-1-yl)sulfonyl-2-fluorobenzonitrile
CID 63288398
3-(3-propylpyrrolidin-1-yl)sulfonylbenzonitrile
CID 115667514
5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-fluorobenzonitrile
CID 63239382
5-[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]sulfonyl-2-fluorobenzonitrile
CID 129369876
5-[(3R)-3-ethyl-4-[(2S)-2-hydroxypropyl]piperazin-1-yl]sulfonyl-2-fluorobenzonitrile
CID 98852426
2-fluoro-5-piperazin-1-ylsulfonylbenzonitrile
CID 63287823
2-chloro-5-(3-ethylpiperidin-1-yl)sulfonylbenzonitrile
CID 47304465
5-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-2-fluorobenzonitrile
CID 63262428
4-(3-propylpyrrolidin-1-yl)sulfonylpyridin-2-amine
CID 113418711
1-(3-cyano-4-fluorophenyl)sulfonyl-4-methylpiperidine-4-carbonitrile
CID 103990292
2-[1-(4-fluoro-3-nitrophenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 114799320
2-chloro-4-(3-ethylpiperidin-1-yl)sulfonylbenzonitrile
CID 47206307

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(3-propylpyrrolidin-1-yl)sulfonylbenzonitrile?
The IUPAC name of 2-fluoro-5-(3-propylpyrrolidin-1-yl)sulfonylbenzonitrile (CID 115667524) is 2-fluoro-5-(3-propylpyrrolidin-1-yl)sulfonylbenzonitrile.
What is the SMILES notation for 2-fluoro-5-(3-propylpyrrolidin-1-yl)sulfonylbenzonitrile?
The canonical SMILES for 2-fluoro-5-(3-propylpyrrolidin-1-yl)sulfonylbenzonitrile is CCCC1CCN(S(=O)(=O)c2ccc(F)c(C#N)c2)C1.
What is the InChIKey of 2-fluoro-5-(3-propylpyrrolidin-1-yl)sulfonylbenzonitrile?
The InChIKey is DLNDEVSEYDMYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2S/c1-2-3-11-6-7-17(10-11)20(18,19)13-4-5-14(15)12(8-13)9-16/h4-5,8,11H,2-3,6-7,10H2,1H3.
What are the key properties of 2-fluoro-5-(3-propylpyrrolidin-1-yl)sulfonylbenzonitrile?
2-fluoro-5-(3-propylpyrrolidin-1-yl)sulfonylbenzonitrile has a molecular weight of 296.37 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(3-propylpyrrolidin-1-yl)sulfonylbenzonitrile is sourced from PubChem (CID 115667524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).