3-methoxy-4-(2-methoxyethylsulfamoylamino)benzonitrile

C11H15N3O4S — CID 114815180

IUPAC3-methoxy-4-(2-methoxyethylsulfamoylamino)benzonitrile
SMILESCOCCNS(=O)(=O)Nc1ccc(C#N)cc1OC
InChIInChI=1S/C11H15N3O4S/c1-17-6-5-13-19(15,16)14-10-4-3-9(8-12)7-11(10)18-2/h3-4,7,13-14H,5-6H2,1-2H3
InChIKeyOKSBKCUSQICFQW-UHFFFAOYSA-N
MW285.32 g/mol
LogP0.46
Rot. Bonds7

About 3-methoxy-4-(2-methoxyethylsulfamoylamino)benzonitrile

3-methoxy-4-(2-methoxyethylsulfamoylamino)benzonitrile (PubChem CID 114815180) has the molecular formula C11H15N3O4S and a molecular weight of 285.32 g/mol. Its IUPAC name is 3-methoxy-4-(2-methoxyethylsulfamoylamino)benzonitrile.

Molecular Properties

Compound Name3-methoxy-4-(2-methoxyethylsulfamoylamino)benzonitrile
PubChem CID114815180
Molecular FormulaC11H15N3O4S
Molecular Weight285.32 g/mol
Exact Mass285.08
IUPAC Name3-methoxy-4-(2-methoxyethylsulfamoylamino)benzonitrile
SMILESCOCCNS(=O)(=O)Nc1ccc(C#N)cc1OC
InChIInChI=1S/C11H15N3O4S/c1-17-6-5-13-19(15,16)14-10-4-3-9(8-12)7-11(10)18-2/h3-4,7,13-14H,5-6H2,1-2H3
InChIKeyOKSBKCUSQICFQW-UHFFFAOYSA-N
XLogP0.46
TPSA100.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methoxyethylsulfamoylamino)-4-methylbenzonitrile
CID 114815107
N-(4-cyano-2-methoxyphenyl)sulfamoyl chloride
CID 18766652
5-fluoro-2-(2-methoxyethylsulfamoylamino)benzonitrile
CID 114815174
N-(4-cyano-2-methoxyphenyl)-2,2-dimethylpropane-1-sulfonamide
CID 104849226
4-methoxy-3-(2-methoxyethylsulfamoylamino)benzenesulfonamide
CID 114816629
4-[4-(2-methoxyethylsulfamoylamino)-3-methylphenyl]but-3-yn-1-ol
CID 114816406
2-(4-cyano-2-methoxyanilino)ethanesulfonamide
CID 114385179
4-(3-aminoprop-1-ynyl)-2-ethyl-N-(2-methoxyethylsulfamoyl)aniline
CID 114816553
N-(4-cyano-2-methoxyphenyl)-3,3-dimethylbutane-1-sulfonamide
CID 103521156
2-methoxy-4-N-(2-methoxyethylsulfamoyl)benzene-1,4-diamine
CID 114815986
ethane;3-methoxy-4-(methylamino)benzonitrile
CID 176701430
4-hydrazinyl-3-methoxybenzonitrile
CID 53404328

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-(2-methoxyethylsulfamoylamino)benzonitrile?
The IUPAC name of 3-methoxy-4-(2-methoxyethylsulfamoylamino)benzonitrile (CID 114815180) is 3-methoxy-4-(2-methoxyethylsulfamoylamino)benzonitrile.
What is the SMILES notation for 3-methoxy-4-(2-methoxyethylsulfamoylamino)benzonitrile?
The canonical SMILES for 3-methoxy-4-(2-methoxyethylsulfamoylamino)benzonitrile is COCCNS(=O)(=O)Nc1ccc(C#N)cc1OC.
What is the InChIKey of 3-methoxy-4-(2-methoxyethylsulfamoylamino)benzonitrile?
The InChIKey is OKSBKCUSQICFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4S/c1-17-6-5-13-19(15,16)14-10-4-3-9(8-12)7-11(10)18-2/h3-4,7,13-14H,5-6H2,1-2H3.
What are the key properties of 3-methoxy-4-(2-methoxyethylsulfamoylamino)benzonitrile?
3-methoxy-4-(2-methoxyethylsulfamoylamino)benzonitrile has a molecular weight of 285.32 g/mol, XLogP of 0.46, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-(2-methoxyethylsulfamoylamino)benzonitrile is sourced from PubChem (CID 114815180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).