3-(4-fluorophenyl)sulfonylpropanenitrile

C9H8FNO2S — CID 4739600

IUPAC3-(4-fluorophenyl)sulfonylpropanenitrile
SMILESN#CCCS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C9H8FNO2S/c10-8-2-4-9(5-3-8)14(12,13)7-1-6-11/h2-5H,1,7H2
InChIKeyLEUZTXMDDQGYQK-UHFFFAOYSA-N
MW213.23 g/mol
LogP1.51
Rot. Bonds3

About 3-(4-fluorophenyl)sulfonylpropanenitrile

3-(4-fluorophenyl)sulfonylpropanenitrile (PubChem CID 4739600) has the molecular formula C9H8FNO2S and a molecular weight of 213.23 g/mol. Its IUPAC name is 3-(4-fluorophenyl)sulfonylpropanenitrile.

Molecular Properties

Compound Name3-(4-fluorophenyl)sulfonylpropanenitrile
PubChem CID4739600
Molecular FormulaC9H8FNO2S
Molecular Weight213.23 g/mol
Exact Mass213.03
IUPAC Name3-(4-fluorophenyl)sulfonylpropanenitrile
SMILESN#CCCS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C9H8FNO2S/c10-8-2-4-9(5-3-8)14(12,13)7-1-6-11/h2-5H,1,7H2
InChIKeyLEUZTXMDDQGYQK-UHFFFAOYSA-N
XLogP1.51
TPSA57.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-cyanopropyl)-4-fluorobenzenesulfonamide
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4-(4-bromophenyl)sulfonylbutanenitrile
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2-amino-3-[4-(2-cyanoethylsulfonyl)phenyl]propanoic acid
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3-(4-amino-3-chlorophenyl)sulfonylpropanenitrile
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4-(4-fluorophenyl)sulfonylbutan-1-amine
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CID 168604389
2-[4-(2-cyanoethylsulfonyl)-N-methylanilino]acetic acid
CID 18972356
3-(4-fluorophenyl)sulfonylpropyl-tritritiooxysilane
CID 140697839
4-(4-propan-2-ylphenyl)sulfonylbutanenitrile
CID 64692191
1-(2-tert-butylsulfonylethylsulfonyl)-4-fluorobenzene
CID 103705360
5-(4-fluorophenyl)sulfonylpentane-1-sulfonic acid
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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)sulfonylpropanenitrile?
The IUPAC name of 3-(4-fluorophenyl)sulfonylpropanenitrile (CID 4739600) is 3-(4-fluorophenyl)sulfonylpropanenitrile.
What is the SMILES notation for 3-(4-fluorophenyl)sulfonylpropanenitrile?
The canonical SMILES for 3-(4-fluorophenyl)sulfonylpropanenitrile is N#CCCS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)sulfonylpropanenitrile?
The InChIKey is LEUZTXMDDQGYQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNO2S/c10-8-2-4-9(5-3-8)14(12,13)7-1-6-11/h2-5H,1,7H2.
What are the key properties of 3-(4-fluorophenyl)sulfonylpropanenitrile?
3-(4-fluorophenyl)sulfonylpropanenitrile has a molecular weight of 213.23 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)sulfonylpropanenitrile is sourced from PubChem (CID 4739600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).