1-cyano-N-(2-cyano-6-methoxyphenyl)ethanesulfonamide

C11H11N3O3S — CID 107468261

IUPAC1-cyano-N-(2-cyano-6-methoxyphenyl)ethanesulfonamide
SMILESCOc1cccc(C#N)c1NS(=O)(=O)C(C)C#N
InChIInChI=1S/C11H11N3O3S/c1-8(6-12)18(15,16)14-11-9(7-13)4-3-5-10(11)17-2/h3-5,8,14H,1-2H3
InChIKeyVJVOSFCXIDJIQU-UHFFFAOYSA-N
MW265.29 g/mol
LogP1.22
Rot. Bonds4

About 1-cyano-N-(2-cyano-6-methoxyphenyl)ethanesulfonamide

1-cyano-N-(2-cyano-6-methoxyphenyl)ethanesulfonamide (PubChem CID 107468261) has the molecular formula C11H11N3O3S and a molecular weight of 265.29 g/mol. Its IUPAC name is 1-cyano-N-(2-cyano-6-methoxyphenyl)ethanesulfonamide.

Molecular Properties

Compound Name1-cyano-N-(2-cyano-6-methoxyphenyl)ethanesulfonamide
PubChem CID107468261
Molecular FormulaC11H11N3O3S
Molecular Weight265.29 g/mol
Exact Mass265.05
IUPAC Name1-cyano-N-(2-cyano-6-methoxyphenyl)ethanesulfonamide
SMILESCOc1cccc(C#N)c1NS(=O)(=O)C(C)C#N
InChIInChI=1S/C11H11N3O3S/c1-8(6-12)18(15,16)14-11-9(7-13)4-3-5-10(11)17-2/h3-5,8,14H,1-2H3
InChIKeyVJVOSFCXIDJIQU-UHFFFAOYSA-N
XLogP1.22
TPSA102.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyano-6-methoxyphenyl)propane-2-sulfonamide
CID 107468255
methyl 3-[(2-cyano-6-methoxyphenyl)sulfamoyl]propanoate
CID 107468233
N-(2-cyano-6-methoxyphenyl)-2-fluorobenzenesulfonamide
CID 107467349
N-(2-cyano-6-methoxyphenyl)-5-methylthiophene-2-sulfonamide
CID 107468276
N-(2-cyano-6-methoxyphenyl)oxane-4-sulfonamide
CID 107468277
N-(2-cyano-6-methoxyphenyl)formamide
CID 107468180
methyl 3-amino-2-(2-cyano-6-methoxyanilino)propanoate
CID 114242386
N-(2-cyano-6-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 107468239
(2S)-2-amino-N-(2-cyano-6-methoxyphenyl)-3-methylpentanamide
CID 107467870
ethyl 3-(2-cyano-6-methoxyanilino)-2-methylpropanoate
CID 107467674
2-amino-3-(2-cyano-6-methoxyanilino)propanamide
CID 107468750
N-(2-cyano-6-methoxyphenyl)-2-methyl-2-methylsulfonylpropanamide
CID 107468020

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(2-cyano-6-methoxyphenyl)ethanesulfonamide?
The IUPAC name of 1-cyano-N-(2-cyano-6-methoxyphenyl)ethanesulfonamide (CID 107468261) is 1-cyano-N-(2-cyano-6-methoxyphenyl)ethanesulfonamide.
What is the SMILES notation for 1-cyano-N-(2-cyano-6-methoxyphenyl)ethanesulfonamide?
The canonical SMILES for 1-cyano-N-(2-cyano-6-methoxyphenyl)ethanesulfonamide is COc1cccc(C#N)c1NS(=O)(=O)C(C)C#N.
What is the InChIKey of 1-cyano-N-(2-cyano-6-methoxyphenyl)ethanesulfonamide?
The InChIKey is VJVOSFCXIDJIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3S/c1-8(6-12)18(15,16)14-11-9(7-13)4-3-5-10(11)17-2/h3-5,8,14H,1-2H3.
What are the key properties of 1-cyano-N-(2-cyano-6-methoxyphenyl)ethanesulfonamide?
1-cyano-N-(2-cyano-6-methoxyphenyl)ethanesulfonamide has a molecular weight of 265.29 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(2-cyano-6-methoxyphenyl)ethanesulfonamide is sourced from PubChem (CID 107468261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).