1-(4-cyanophenyl)-N-(2-methoxyethoxy)methanesulfonamide

C11H14N2O4S — CID 82715836

IUPAC1-(4-cyanophenyl)-N-(2-methoxyethoxy)methanesulfonamide
SMILESCOCCONS(=O)(=O)Cc1ccc(C#N)cc1
InChIInChI=1S/C11H14N2O4S/c1-16-6-7-17-13-18(14,15)9-11-4-2-10(8-12)3-5-11/h2-5,13H,6-7,9H2,1H3
InChIKeyZEHLFTBUMXPFNI-UHFFFAOYSA-N
MW270.31 g/mol
LogP0.56
Rot. Bonds7

About 1-(4-cyanophenyl)-N-(2-methoxyethoxy)methanesulfonamide

1-(4-cyanophenyl)-N-(2-methoxyethoxy)methanesulfonamide (PubChem CID 82715836) has the molecular formula C11H14N2O4S and a molecular weight of 270.31 g/mol. Its IUPAC name is 1-(4-cyanophenyl)-N-(2-methoxyethoxy)methanesulfonamide.

Molecular Properties

Compound Name1-(4-cyanophenyl)-N-(2-methoxyethoxy)methanesulfonamide
PubChem CID82715836
Molecular FormulaC11H14N2O4S
Molecular Weight270.31 g/mol
Exact Mass270.07
IUPAC Name1-(4-cyanophenyl)-N-(2-methoxyethoxy)methanesulfonamide
SMILESCOCCONS(=O)(=O)Cc1ccc(C#N)cc1
InChIInChI=1S/C11H14N2O4S/c1-16-6-7-17-13-18(14,15)9-11-4-2-10(8-12)3-5-11/h2-5,13H,6-7,9H2,1H3
InChIKeyZEHLFTBUMXPFNI-UHFFFAOYSA-N
XLogP0.56
TPSA88.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(4-cyanophenyl)methylsulfonylamino]oxyacetic acid
CID 60693504
1-(4-cyanophenyl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)methanesulfonamide
CID 106252836
1-(4-cyanophenyl)-N-[4-(methylamino)cyclohexyl]methanesulfonamide
CID 79117976
methyl 3-[(4-cyanophenyl)methylsulfonyl]propanoate
CID 64692445
N-(1-aminopropan-2-yl)-1-(4-cyanophenyl)methanesulfonamide
CID 63731343
4-[2-(2-methoxyethoxy)ethoxymethyl]benzonitrile
CID 104561665
1-(4-cyanophenyl)-N-cyclopropyl-N-(2-methoxyethyl)methanesulfonamide
CID 61067231
1-(4-cyanophenyl)-N-(2-methoxyethyl)-N-prop-2-enylmethanesulfonamide
CID 107857512
2-(4-cyanophenyl)-N-(3-methoxypropyl)acetamide
CID 62404738
N-(2-methoxyethoxy)ethanesulfonamide
CID 82714483
4-(1-sulfanylethylsulfonylmethyl)benzonitrile
CID 167244875
5-cyano-N-(2-methoxyethoxy)thiophene-2-sulfonamide
CID 106266016

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyanophenyl)-N-(2-methoxyethoxy)methanesulfonamide?
The IUPAC name of 1-(4-cyanophenyl)-N-(2-methoxyethoxy)methanesulfonamide (CID 82715836) is 1-(4-cyanophenyl)-N-(2-methoxyethoxy)methanesulfonamide.
What is the SMILES notation for 1-(4-cyanophenyl)-N-(2-methoxyethoxy)methanesulfonamide?
The canonical SMILES for 1-(4-cyanophenyl)-N-(2-methoxyethoxy)methanesulfonamide is COCCONS(=O)(=O)Cc1ccc(C#N)cc1.
What is the InChIKey of 1-(4-cyanophenyl)-N-(2-methoxyethoxy)methanesulfonamide?
The InChIKey is ZEHLFTBUMXPFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4S/c1-16-6-7-17-13-18(14,15)9-11-4-2-10(8-12)3-5-11/h2-5,13H,6-7,9H2,1H3.
What are the key properties of 1-(4-cyanophenyl)-N-(2-methoxyethoxy)methanesulfonamide?
1-(4-cyanophenyl)-N-(2-methoxyethoxy)methanesulfonamide has a molecular weight of 270.31 g/mol, XLogP of 0.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyanophenyl)-N-(2-methoxyethoxy)methanesulfonamide is sourced from PubChem (CID 82715836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).