N-[2-(2,2-dicyanoethenylamino)-4-methoxyphenyl]methanesulfonamide

C12H12N4O3S — CID 168545331

IUPACN-[2-(2,2-dicyanoethenylamino)-4-methoxyphenyl]methanesulfonamide
SMILESCOc1ccc(NS(C)(=O)=O)c(NC=C(C#N)C#N)c1
InChIInChI=1S/C12H12N4O3S/c1-19-10-3-4-11(16-20(2,17)18)12(5-10)15-8-9(6-13)7-14/h3-5,8,15-16H,1-2H3
InChIKeyZFURJGQHAHCZIP-UHFFFAOYSA-N
MW292.32 g/mol
LogP1.41
Rot. Bonds5

About N-[2-(2,2-dicyanoethenylamino)-4-methoxyphenyl]methanesulfonamide

N-[2-(2,2-dicyanoethenylamino)-4-methoxyphenyl]methanesulfonamide (PubChem CID 168545331) has the molecular formula C12H12N4O3S and a molecular weight of 292.32 g/mol. Its IUPAC name is N-[2-(2,2-dicyanoethenylamino)-4-methoxyphenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(2,2-dicyanoethenylamino)-4-methoxyphenyl]methanesulfonamide
PubChem CID168545331
Molecular FormulaC12H12N4O3S
Molecular Weight292.32 g/mol
Exact Mass292.06
IUPAC NameN-[2-(2,2-dicyanoethenylamino)-4-methoxyphenyl]methanesulfonamide
SMILESCOc1ccc(NS(C)(=O)=O)c(NC=C(C#N)C#N)c1
InChIInChI=1S/C12H12N4O3S/c1-19-10-3-4-11(16-20(2,17)18)12(5-10)15-8-9(6-13)7-14/h3-5,8,15-16H,1-2H3
InChIKeyZFURJGQHAHCZIP-UHFFFAOYSA-N
XLogP1.41
TPSA115.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methoxy-2-methylphenyl)methanesulfonamide
CID 15851883
N-(2-formyl-4-methoxyphenyl)methanesulfonamide
CID 131493986
4-(2,2-dicyanoethenylamino)-N-(3-methoxyphenyl)benzenesulfonamide
CID 168543230
N-(5-methoxy-2-phenoxyphenyl)methanesulfonamide
CID 10803650
2-[[2-(4-methoxyphenoxy)anilino]methylidene]propanedinitrile
CID 168542179
methyl 4-(2,2-dicyanoethenylamino)-3-methoxybenzoate
CID 117063903
N-[4-[(Z)-4-cyano-4-[2-(ethylamino)-4-methoxyphenyl]but-3-en-1-ynyl]phenyl]methanesulfonamide
CID 143185071
4-(2,2-dicyanoethenylamino)-2-methoxy-5-methylbenzenesulfonic acid
CID 168544223
N-(4-methoxy-2-pyrrolidin-1-ylphenyl)methanesulfonamide
CID 168515675
2-(2,2-dicyanoethenylamino)-5-(2-methoxyphenoxy)benzoic acid
CID 168545096
2-[[4-(2,4-dimethoxyphenyl)anilino]methylidene]propanedinitrile
CID 168544265
N-[2-(methanesulfonamido)phenyl]-3-methoxybenzamide
CID 35368167

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-dicyanoethenylamino)-4-methoxyphenyl]methanesulfonamide?
The IUPAC name of N-[2-(2,2-dicyanoethenylamino)-4-methoxyphenyl]methanesulfonamide (CID 168545331) is N-[2-(2,2-dicyanoethenylamino)-4-methoxyphenyl]methanesulfonamide.
What is the SMILES notation for N-[2-(2,2-dicyanoethenylamino)-4-methoxyphenyl]methanesulfonamide?
The canonical SMILES for N-[2-(2,2-dicyanoethenylamino)-4-methoxyphenyl]methanesulfonamide is COc1ccc(NS(C)(=O)=O)c(NC=C(C#N)C#N)c1.
What is the InChIKey of N-[2-(2,2-dicyanoethenylamino)-4-methoxyphenyl]methanesulfonamide?
The InChIKey is ZFURJGQHAHCZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3S/c1-19-10-3-4-11(16-20(2,17)18)12(5-10)15-8-9(6-13)7-14/h3-5,8,15-16H,1-2H3.
What are the key properties of N-[2-(2,2-dicyanoethenylamino)-4-methoxyphenyl]methanesulfonamide?
N-[2-(2,2-dicyanoethenylamino)-4-methoxyphenyl]methanesulfonamide has a molecular weight of 292.32 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-dicyanoethenylamino)-4-methoxyphenyl]methanesulfonamide is sourced from PubChem (CID 168545331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).