4-(2,2-dicyanoethenylamino)-N-(3-methoxyphenyl)benzenesulfonamide

C17H14N4O3S — CID 168543230

IUPAC4-(2,2-dicyanoethenylamino)-N-(3-methoxyphenyl)benzenesulfonamide
SMILESCOc1cccc(NS(=O)(=O)c2ccc(NC=C(C#N)C#N)cc2)c1
InChIInChI=1S/C17H14N4O3S/c1-24-16-4-2-3-15(9-16)21-25(22,23)17-7-5-14(6-8-17)20-12-13(10-18)11-19/h2-9,12,20-21H,1H3
InChIKeyWMUNQDSKOJZVFH-UHFFFAOYSA-N
MW354.39 g/mol
LogP2.84
Rot. Bonds6

About 4-(2,2-dicyanoethenylamino)-N-(3-methoxyphenyl)benzenesulfonamide

4-(2,2-dicyanoethenylamino)-N-(3-methoxyphenyl)benzenesulfonamide (PubChem CID 168543230) has the molecular formula C17H14N4O3S and a molecular weight of 354.39 g/mol. Its IUPAC name is 4-(2,2-dicyanoethenylamino)-N-(3-methoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2,2-dicyanoethenylamino)-N-(3-methoxyphenyl)benzenesulfonamide
PubChem CID168543230
Molecular FormulaC17H14N4O3S
Molecular Weight354.39 g/mol
Exact Mass354.08
IUPAC Name4-(2,2-dicyanoethenylamino)-N-(3-methoxyphenyl)benzenesulfonamide
SMILESCOc1cccc(NS(=O)(=O)c2ccc(NC=C(C#N)C#N)cc2)c1
InChIInChI=1S/C17H14N4O3S/c1-24-16-4-2-3-15(9-16)21-25(22,23)17-7-5-14(6-8-17)20-12-13(10-18)11-19/h2-9,12,20-21H,1H3
InChIKeyWMUNQDSKOJZVFH-UHFFFAOYSA-N
XLogP2.84
TPSA115.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 52.84
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

4-(cyanomethyl)-N-(3-methoxyphenyl)benzenesulfonamide
CID 79185383
2-[[4-(3-methoxyphenyl)anilino]methylidene]propanedinitrile
CID 168542114
4-chloro-N-(3-methoxyphenyl)benzenesulfonamide
CID 819759
N-(3,5-dichlorophenyl)-4-(2,2-dicyanoethenylamino)benzenesulfonamide
CID 168543235
3-cyano-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide
CID 171134272
methyl N-cyano-N'-[4-[(3-methoxyphenyl)sulfamoyl]phenyl]carbamimidothioate
CID 169362386
2-[4-[(3-methoxyphenyl)sulfamoyl]phenyl]acetic acid
CID 69449790
3,4-dichloro-N-(3-methoxyphenyl)benzenesulfonamide
CID 7745694
2-[(4-methylsulfonylanilino)methylidene]propanedinitrile
CID 168511617
N-(3-methoxyphenyl)-4-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 7553556
3-N-(3-methoxyphenyl)benzene-1,3-disulfonamide
CID 31064512
N-(3-methoxyphenyl)-4-(phenylsulfamoyl)benzamide
CID 27167578

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dicyanoethenylamino)-N-(3-methoxyphenyl)benzenesulfonamide?
The IUPAC name of 4-(2,2-dicyanoethenylamino)-N-(3-methoxyphenyl)benzenesulfonamide (CID 168543230) is 4-(2,2-dicyanoethenylamino)-N-(3-methoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 4-(2,2-dicyanoethenylamino)-N-(3-methoxyphenyl)benzenesulfonamide?
The canonical SMILES for 4-(2,2-dicyanoethenylamino)-N-(3-methoxyphenyl)benzenesulfonamide is COc1cccc(NS(=O)(=O)c2ccc(NC=C(C#N)C#N)cc2)c1.
What is the InChIKey of 4-(2,2-dicyanoethenylamino)-N-(3-methoxyphenyl)benzenesulfonamide?
The InChIKey is WMUNQDSKOJZVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O3S/c1-24-16-4-2-3-15(9-16)21-25(22,23)17-7-5-14(6-8-17)20-12-13(10-18)11-19/h2-9,12,20-21H,1H3.
What are the key properties of 4-(2,2-dicyanoethenylamino)-N-(3-methoxyphenyl)benzenesulfonamide?
4-(2,2-dicyanoethenylamino)-N-(3-methoxyphenyl)benzenesulfonamide has a molecular weight of 354.39 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dicyanoethenylamino)-N-(3-methoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 168543230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).