N-[(3-cyanophenyl)methyl]-2-methoxyethanesulfonamide

C11H14N2O3S — CID 55062177

IUPACN-[(3-cyanophenyl)methyl]-2-methoxyethanesulfonamide
SMILESCOCCS(=O)(=O)NCc1cccc(C#N)c1
InChIInChI=1S/C11H14N2O3S/c1-16-5-6-17(14,15)13-9-11-4-2-3-10(7-11)8-12/h2-4,7,13H,5-6,9H2,1H3
InChIKeyDUWDYTDJFBOARF-UHFFFAOYSA-N
MW254.31 g/mol
LogP0.62
Rot. Bonds6

About N-[(3-cyanophenyl)methyl]-2-methoxyethanesulfonamide

N-[(3-cyanophenyl)methyl]-2-methoxyethanesulfonamide (PubChem CID 55062177) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is N-[(3-cyanophenyl)methyl]-2-methoxyethanesulfonamide.

Molecular Properties

Compound NameN-[(3-cyanophenyl)methyl]-2-methoxyethanesulfonamide
PubChem CID55062177
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC NameN-[(3-cyanophenyl)methyl]-2-methoxyethanesulfonamide
SMILESCOCCS(=O)(=O)NCc1cccc(C#N)c1
InChIInChI=1S/C11H14N2O3S/c1-16-5-6-17(14,15)13-9-11-4-2-3-10(7-11)8-12/h2-4,7,13H,5-6,9H2,1H3
InChIKeyDUWDYTDJFBOARF-UHFFFAOYSA-N
XLogP0.62
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[(3-cyanophenyl)methylsulfamoyl]butanoate
CID 61460202
N-[[3-(3-hydroxyprop-1-ynyl)phenyl]methyl]-3-methoxypropane-1-sulfonamide
CID 63288050
methyl N-[(3-cyanophenyl)methylsulfamoyl]carbamate
CID 113344019
1-(3-cyanophenyl)-N-[(4-propoxyphenyl)methyl]methanesulfonamide
CID 87032785
N-[(3-cyanophenyl)methyl]-2-pyridin-2-ylethanesulfonamide
CID 47956780
3-[(3-methoxypropylamino)methyl]benzonitrile
CID 28673378
N-[(3-cyanophenyl)methyl]-2-methoxy-N-methylethanesulfonamide
CID 55153232
N-[(3-hydroxyphenyl)methyl]-3-methoxypropane-1-sulfonamide
CID 63290144
3-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]benzonitrile
CID 62843600
1-(3-cyanophenyl)-N-(2-methoxypropyl)methanesulfonamide
CID 102697469
methyl 3-[(3-cyanophenyl)methylsulfonylamino]-2-hydroxypropanoate
CID 103878673
N-[(3,4-dimethoxyphenyl)methyl]-2-methoxyethanesulfonamide
CID 110300105

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyanophenyl)methyl]-2-methoxyethanesulfonamide?
The IUPAC name of N-[(3-cyanophenyl)methyl]-2-methoxyethanesulfonamide (CID 55062177) is N-[(3-cyanophenyl)methyl]-2-methoxyethanesulfonamide.
What is the SMILES notation for N-[(3-cyanophenyl)methyl]-2-methoxyethanesulfonamide?
The canonical SMILES for N-[(3-cyanophenyl)methyl]-2-methoxyethanesulfonamide is COCCS(=O)(=O)NCc1cccc(C#N)c1.
What is the InChIKey of N-[(3-cyanophenyl)methyl]-2-methoxyethanesulfonamide?
The InChIKey is DUWDYTDJFBOARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S/c1-16-5-6-17(14,15)13-9-11-4-2-3-10(7-11)8-12/h2-4,7,13H,5-6,9H2,1H3.
What are the key properties of N-[(3-cyanophenyl)methyl]-2-methoxyethanesulfonamide?
N-[(3-cyanophenyl)methyl]-2-methoxyethanesulfonamide has a molecular weight of 254.31 g/mol, XLogP of 0.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyanophenyl)methyl]-2-methoxyethanesulfonamide is sourced from PubChem (CID 55062177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).