1-cyano-N-[2-(2-methoxyethyl)phenyl]methanesulfonamide

C11H14N2O3S — CID 102906168

IUPAC1-cyano-N-[2-(2-methoxyethyl)phenyl]methanesulfonamide
SMILESCOCCc1ccccc1NS(=O)(=O)CC#N
InChIInChI=1S/C11H14N2O3S/c1-16-8-6-10-4-2-3-5-11(10)13-17(14,15)9-7-12/h2-5,13H,6,8-9H2,1H3
InChIKeyZBGKRNBZCLMIGS-UHFFFAOYSA-N
MW254.31 g/mol
LogP1.14
Rot. Bonds6

About 1-cyano-N-[2-(2-methoxyethyl)phenyl]methanesulfonamide

1-cyano-N-[2-(2-methoxyethyl)phenyl]methanesulfonamide (PubChem CID 102906168) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is 1-cyano-N-[2-(2-methoxyethyl)phenyl]methanesulfonamide.

Molecular Properties

Compound Name1-cyano-N-[2-(2-methoxyethyl)phenyl]methanesulfonamide
PubChem CID102906168
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC Name1-cyano-N-[2-(2-methoxyethyl)phenyl]methanesulfonamide
SMILESCOCCc1ccccc1NS(=O)(=O)CC#N
InChIInChI=1S/C11H14N2O3S/c1-16-8-6-10-4-2-3-5-11(10)13-17(14,15)9-7-12/h2-5,13H,6,8-9H2,1H3
InChIKeyZBGKRNBZCLMIGS-UHFFFAOYSA-N
XLogP1.14
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 ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-chloro-N-[2-(2-methoxyethyl)phenyl]methanesulfonamide
CID 102907633
N-[2-(2-methoxyethyl)phenyl]-4-(methylamino)butane-1-sulfonamide
CID 106087001
2-[2-(2-methoxyethyl)phenyl]acetonitrile
CID 22645928
4-fluoro-N-[2-(2-methoxyethyl)phenyl]benzenesulfonamide
CID 102846903
1-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-(2-methoxyethyl)benzene
CID 102904867
6-amino-N-[2-(2-methoxyethyl)phenyl]pyridine-3-sulfonamide
CID 102903283
N-[2-(2-methoxyethyl)phenyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 102846902
2-(2-methoxyethyl)-N-propan-2-ylaniline
CID 102847364
1-chloro-N-[2-(methoxymethyl)phenyl]methanesulfonamide
CID 63664132
N-[2-(2-methoxyethyl)phenyl]-2-methylpropanamide
CID 18982774
4-[[2-(2-methoxyethyl)anilino]methyl]benzonitrile
CID 102847283
N-(4-bromo-2-ethylphenyl)-1-cyanomethanesulfonamide
CID 81291679

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[2-(2-methoxyethyl)phenyl]methanesulfonamide?
The IUPAC name of 1-cyano-N-[2-(2-methoxyethyl)phenyl]methanesulfonamide (CID 102906168) is 1-cyano-N-[2-(2-methoxyethyl)phenyl]methanesulfonamide.
What is the SMILES notation for 1-cyano-N-[2-(2-methoxyethyl)phenyl]methanesulfonamide?
The canonical SMILES for 1-cyano-N-[2-(2-methoxyethyl)phenyl]methanesulfonamide is COCCc1ccccc1NS(=O)(=O)CC#N.
What is the InChIKey of 1-cyano-N-[2-(2-methoxyethyl)phenyl]methanesulfonamide?
The InChIKey is ZBGKRNBZCLMIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S/c1-16-8-6-10-4-2-3-5-11(10)13-17(14,15)9-7-12/h2-5,13H,6,8-9H2,1H3.
What are the key properties of 1-cyano-N-[2-(2-methoxyethyl)phenyl]methanesulfonamide?
1-cyano-N-[2-(2-methoxyethyl)phenyl]methanesulfonamide has a molecular weight of 254.31 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[2-(2-methoxyethyl)phenyl]methanesulfonamide is sourced from PubChem (CID 102906168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).