2-chloro-6-(2-ethylsulfonylethoxy)benzonitrile

C11H12ClNO3S — CID 113277263

IUPAC2-chloro-6-(2-ethylsulfonylethoxy)benzonitrile
SMILESCCS(=O)(=O)CCOc1cccc(Cl)c1C#N
InChIInChI=1S/C11H12ClNO3S/c1-2-17(14,15)7-6-16-11-5-3-4-10(12)9(11)8-13/h3-5H,2,6-7H2,1H3
InChIKeyBVGNQROSEATXJA-UHFFFAOYSA-N
MW273.74 g/mol
LogP2.03
Rot. Bonds5

About 2-chloro-6-(2-ethylsulfonylethoxy)benzonitrile

2-chloro-6-(2-ethylsulfonylethoxy)benzonitrile (PubChem CID 113277263) has the molecular formula C11H12ClNO3S and a molecular weight of 273.74 g/mol. Its IUPAC name is 2-chloro-6-(2-ethylsulfonylethoxy)benzonitrile.

Molecular Properties

Compound Name2-chloro-6-(2-ethylsulfonylethoxy)benzonitrile
PubChem CID113277263
Molecular FormulaC11H12ClNO3S
Molecular Weight273.74 g/mol
Exact Mass273.02
IUPAC Name2-chloro-6-(2-ethylsulfonylethoxy)benzonitrile
SMILESCCS(=O)(=O)CCOc1cccc(Cl)c1C#N
InChIInChI=1S/C11H12ClNO3S/c1-2-17(14,15)7-6-16-11-5-3-4-10(12)9(11)8-13/h3-5H,2,6-7H2,1H3
InChIKeyBVGNQROSEATXJA-UHFFFAOYSA-N
XLogP2.03
TPSA67.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.74
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-6-hexoxybenzonitrile
CID 63513082
2-chloro-6-(2-chloroethoxy)benzonitrile
CID 130564225
2-chloro-6-(3-ethoxypropoxy)benzonitrile
CID 79032993
2-chloro-6-(2-ethylsulfonylethoxy)benzaldehyde
CID 60790501
2-chloro-6-(2-ethylsulfonylethoxy)benzoic acid
CID 113276812
4-(3-chloro-2-cyanophenoxy)-N-methylbutanamide
CID 113277276
2-chloro-6-[(4-ethylphenyl)methoxy]benzonitrile
CID 114322559
ethyl 2-(3-chloro-2-cyanophenoxy)acetate
CID 79035534
2-chloro-6-[2-(2,2,2-trifluoroethoxy)ethoxy]benzonitrile
CID 79035063
2-chloro-6-pentan-3-yloxybenzonitrile
CID 114322513
2-chloro-6-(2-pyridin-4-ylethoxy)benzonitrile
CID 114322554
2-chloro-6-(2-cyclobutylethoxy)benzonitrile
CID 106201553

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(2-ethylsulfonylethoxy)benzonitrile?
The IUPAC name of 2-chloro-6-(2-ethylsulfonylethoxy)benzonitrile (CID 113277263) is 2-chloro-6-(2-ethylsulfonylethoxy)benzonitrile.
What is the SMILES notation for 2-chloro-6-(2-ethylsulfonylethoxy)benzonitrile?
The canonical SMILES for 2-chloro-6-(2-ethylsulfonylethoxy)benzonitrile is CCS(=O)(=O)CCOc1cccc(Cl)c1C#N.
What is the InChIKey of 2-chloro-6-(2-ethylsulfonylethoxy)benzonitrile?
The InChIKey is BVGNQROSEATXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO3S/c1-2-17(14,15)7-6-16-11-5-3-4-10(12)9(11)8-13/h3-5H,2,6-7H2,1H3.
What are the key properties of 2-chloro-6-(2-ethylsulfonylethoxy)benzonitrile?
2-chloro-6-(2-ethylsulfonylethoxy)benzonitrile has a molecular weight of 273.74 g/mol, XLogP of 2.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(2-ethylsulfonylethoxy)benzonitrile is sourced from PubChem (CID 113277263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).