N-(3,5-dichlorophenyl)-4-(2,2-dicyanoethenylamino)benzenesulfonamide

C16H10Cl2N4O2S — CID 168543235

IUPACN-(3,5-dichlorophenyl)-4-(2,2-dicyanoethenylamino)benzenesulfonamide
SMILESN#CC(C#N)=CNc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C16H10Cl2N4O2S/c17-12-5-13(18)7-15(6-12)22-25(23,24)16-3-1-14(2-4-16)21-10-11(8-19)9-20/h1-7,10,21-22H
InChIKeyYZABKNUGOYNRNY-UHFFFAOYSA-N
MW393.26 g/mol
LogP4.14
Rot. Bonds5

About N-(3,5-dichlorophenyl)-4-(2,2-dicyanoethenylamino)benzenesulfonamide

N-(3,5-dichlorophenyl)-4-(2,2-dicyanoethenylamino)benzenesulfonamide (PubChem CID 168543235) has the molecular formula C16H10Cl2N4O2S and a molecular weight of 393.26 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-4-(2,2-dicyanoethenylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-4-(2,2-dicyanoethenylamino)benzenesulfonamide
PubChem CID168543235
Molecular FormulaC16H10Cl2N4O2S
Molecular Weight393.26 g/mol
Exact Mass391.99
IUPAC NameN-(3,5-dichlorophenyl)-4-(2,2-dicyanoethenylamino)benzenesulfonamide
SMILESN#CC(C#N)=CNc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C16H10Cl2N4O2S/c17-12-5-13(18)7-15(6-12)22-25(23,24)16-3-1-14(2-4-16)21-10-11(8-19)9-20/h1-7,10,21-22H
InChIKeyYZABKNUGOYNRNY-UHFFFAOYSA-N
XLogP4.14
TPSA105.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.26
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(2,2-dicyanoethenylamino)-N-(3-methoxyphenyl)benzenesulfonamide
CID 168543230
2-cyano-N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]acetamide
CID 17069573
2-[(4-methylsulfonylanilino)methylidene]propanedinitrile
CID 168511617
N-(3,5-dichlorophenyl)-4-(methanesulfonamido)benzenesulfonamide
CID 1290637
4-[[(E)-2-(1,3-benzoxazol-2-yl)-2-cyanoethenyl]amino]-N-(4-chlorophenyl)benzenesulfonamide
CID 6092175
4-(2,2-dicyanoethenylamino)-N,N-dimethylbenzenesulfonamide
CID 2542501
methyl 4-[(3,5-dichlorophenyl)sulfamoyl]benzoate
CID 24509913
N-(3-chloro-5-fluorophenyl)-4-hydrazinylbenzenesulfonamide
CID 107367287
N-(3,5-dichlorophenyl)-3,4-difluorobenzenesulfonamide
CID 3702957
N-(3-chloro-5-methylphenyl)-4-methylbenzenesulfonamide
CID 54422593
2-[(3-chloro-4-iodoanilino)methylidene]propanedinitrile
CID 168541636
3-chloro-N-(3,5-dichlorophenyl)-4-fluorobenzenesulfonamide
CID 3742158

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-4-(2,2-dicyanoethenylamino)benzenesulfonamide?
The IUPAC name of N-(3,5-dichlorophenyl)-4-(2,2-dicyanoethenylamino)benzenesulfonamide (CID 168543235) is N-(3,5-dichlorophenyl)-4-(2,2-dicyanoethenylamino)benzenesulfonamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-4-(2,2-dicyanoethenylamino)benzenesulfonamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-4-(2,2-dicyanoethenylamino)benzenesulfonamide is N#CC(C#N)=CNc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1.
What is the InChIKey of N-(3,5-dichlorophenyl)-4-(2,2-dicyanoethenylamino)benzenesulfonamide?
The InChIKey is YZABKNUGOYNRNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2N4O2S/c17-12-5-13(18)7-15(6-12)22-25(23,24)16-3-1-14(2-4-16)21-10-11(8-19)9-20/h1-7,10,21-22H.
What are the key properties of N-(3,5-dichlorophenyl)-4-(2,2-dicyanoethenylamino)benzenesulfonamide?
N-(3,5-dichlorophenyl)-4-(2,2-dicyanoethenylamino)benzenesulfonamide has a molecular weight of 393.26 g/mol, XLogP of 4.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-4-(2,2-dicyanoethenylamino)benzenesulfonamide is sourced from PubChem (CID 168543235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).