2-(3-cyano-5-methoxyphenoxy)ethanesulfonamide

C10H12N2O4S — CID 103568365

IUPAC2-(3-cyano-5-methoxyphenoxy)ethanesulfonamide
SMILESCOc1cc(C#N)cc(OCCS(N)(=O)=O)c1
InChIInChI=1S/C10H12N2O4S/c1-15-9-4-8(7-11)5-10(6-9)16-2-3-17(12,13)14/h4-6H,2-3H2,1H3,(H2,12,13,14)
InChIKeyINLVTPANWRPCFQ-UHFFFAOYSA-N
MW256.28 g/mol
LogP0.23
Rot. Bonds5

About 2-(3-cyano-5-methoxyphenoxy)ethanesulfonamide

2-(3-cyano-5-methoxyphenoxy)ethanesulfonamide (PubChem CID 103568365) has the molecular formula C10H12N2O4S and a molecular weight of 256.28 g/mol. Its IUPAC name is 2-(3-cyano-5-methoxyphenoxy)ethanesulfonamide.

Molecular Properties

Compound Name2-(3-cyano-5-methoxyphenoxy)ethanesulfonamide
PubChem CID103568365
Molecular FormulaC10H12N2O4S
Molecular Weight256.28 g/mol
Exact Mass256.05
IUPAC Name2-(3-cyano-5-methoxyphenoxy)ethanesulfonamide
SMILESCOc1cc(C#N)cc(OCCS(N)(=O)=O)c1
InChIInChI=1S/C10H12N2O4S/c1-15-9-4-8(7-11)5-10(6-9)16-2-3-17(12,13)14/h4-6H,2-3H2,1H3,(H2,12,13,14)
InChIKeyINLVTPANWRPCFQ-UHFFFAOYSA-N
XLogP0.23
TPSA102.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-cyanoethoxy)-5-methoxybenzonitrile
CID 103566780
3-(3-cyano-5-methoxyphenoxy)propanoic acid
CID 103566186
ethyl 3-(3-cyano-5-methoxyphenoxy)propanoate
CID 103566190
3-methoxy-5-[3-(methylamino)propoxy]benzonitrile
CID 103568078
3-(6-hydroxyhexoxy)-5-methoxybenzonitrile
CID 103577964
3-methoxy-5-pent-4-ynoxybenzonitrile
CID 103567166
3-(3-cyano-5-methoxyphenoxy)-N,N-dimethylpropanamide
CID 103567047
3-methoxy-5-(3-methylbut-3-enoxy)benzonitrile
CID 103566906
3-[2-(4-aminophenyl)ethoxy]-5-methoxybenzonitrile
CID 103566552
3-methoxy-5-prop-2-enoxybenzonitrile
CID 103566833
3-methoxy-5-(2-methylpropoxy)benzonitrile
CID 103566832
5-(3,5-dimethoxyphenoxy)pentanenitrile
CID 55025373

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyano-5-methoxyphenoxy)ethanesulfonamide?
The IUPAC name of 2-(3-cyano-5-methoxyphenoxy)ethanesulfonamide (CID 103568365) is 2-(3-cyano-5-methoxyphenoxy)ethanesulfonamide.
What is the SMILES notation for 2-(3-cyano-5-methoxyphenoxy)ethanesulfonamide?
The canonical SMILES for 2-(3-cyano-5-methoxyphenoxy)ethanesulfonamide is COc1cc(C#N)cc(OCCS(N)(=O)=O)c1.
What is the InChIKey of 2-(3-cyano-5-methoxyphenoxy)ethanesulfonamide?
The InChIKey is INLVTPANWRPCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4S/c1-15-9-4-8(7-11)5-10(6-9)16-2-3-17(12,13)14/h4-6H,2-3H2,1H3,(H2,12,13,14).
What are the key properties of 2-(3-cyano-5-methoxyphenoxy)ethanesulfonamide?
2-(3-cyano-5-methoxyphenoxy)ethanesulfonamide has a molecular weight of 256.28 g/mol, XLogP of 0.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyano-5-methoxyphenoxy)ethanesulfonamide is sourced from PubChem (CID 103568365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).