4-(2,2-dicyanoethenylamino)-N,N-dimethylbenzenesulfonamide

C12H12N4O2S — CID 2542501

IUPAC4-(2,2-dicyanoethenylamino)-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(NC=C(C#N)C#N)cc1
InChIInChI=1S/C12H12N4O2S/c1-16(2)19(17,18)12-5-3-11(4-6-12)15-9-10(7-13)8-14/h3-6,9,15H,1-2H3
InChIKeyABFKJDQCEQCOJD-UHFFFAOYSA-N
MW276.32 g/mol
LogP1.28
Rot. Bonds4

About 4-(2,2-dicyanoethenylamino)-N,N-dimethylbenzenesulfonamide

4-(2,2-dicyanoethenylamino)-N,N-dimethylbenzenesulfonamide (PubChem CID 2542501) has the molecular formula C12H12N4O2S and a molecular weight of 276.32 g/mol. Its IUPAC name is 4-(2,2-dicyanoethenylamino)-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-(2,2-dicyanoethenylamino)-N,N-dimethylbenzenesulfonamide
PubChem CID2542501
Molecular FormulaC12H12N4O2S
Molecular Weight276.32 g/mol
Exact Mass276.07
IUPAC Name4-(2,2-dicyanoethenylamino)-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(NC=C(C#N)C#N)cc1
InChIInChI=1S/C12H12N4O2S/c1-16(2)19(17,18)12-5-3-11(4-6-12)15-9-10(7-13)8-14/h3-6,9,15H,1-2H3
InChIKeyABFKJDQCEQCOJD-UHFFFAOYSA-N
XLogP1.28
TPSA96.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-methylsulfonylanilino)methylidene]propanedinitrile
CID 168511617
4-[[(E)-2-(benzenesulfonyl)-2-nitroethenyl]amino]-N,N-dimethylbenzenesulfonamide
CID 6289828
2-[[4-(2,6-dimethylpiperidin-1-yl)sulfonylanilino]methylidene]propanedinitrile
CID 168542499
2-[[4-(3,5-dimethylpiperidin-1-yl)sulfonylanilino]methylidene]propanedinitrile
CID 168545574
N-(3,5-dichlorophenyl)-4-(2,2-dicyanoethenylamino)benzenesulfonamide
CID 168543235
4-(ethylamino)-N,N-dimethylbenzenesulfonamide
CID 43415076
4-(2-hydroxyethylamino)-N,N-dimethylbenzenesulfonamide
CID 43453910
2-[(4-piperazin-1-ylsulfonylanilino)methylidene]propanedinitrile
CID 168545575
2-[[4-[2-(dimethylamino)ethoxy]anilino]methylidene]propanedinitrile
CID 168543395
2-[(4-sulfanylanilino)methylidene]propanedinitrile
CID 168545577
N,N-dimethyl-4-(methylamino)benzenesulfonamide;hydrochloride
CID 86775481
4-(2,2-dicyanoethenylamino)benzoic acid
CID 168511874

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dicyanoethenylamino)-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-(2,2-dicyanoethenylamino)-N,N-dimethylbenzenesulfonamide (CID 2542501) is 4-(2,2-dicyanoethenylamino)-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-(2,2-dicyanoethenylamino)-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-(2,2-dicyanoethenylamino)-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1ccc(NC=C(C#N)C#N)cc1.
What is the InChIKey of 4-(2,2-dicyanoethenylamino)-N,N-dimethylbenzenesulfonamide?
The InChIKey is ABFKJDQCEQCOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2S/c1-16(2)19(17,18)12-5-3-11(4-6-12)15-9-10(7-13)8-14/h3-6,9,15H,1-2H3.
What are the key properties of 4-(2,2-dicyanoethenylamino)-N,N-dimethylbenzenesulfonamide?
4-(2,2-dicyanoethenylamino)-N,N-dimethylbenzenesulfonamide has a molecular weight of 276.32 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dicyanoethenylamino)-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 2542501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).