N-ethyl-N-phenyl-2-(1,2,2-tricyanoethenylamino)benzenesulfonamide

C19H15N5O2S — CID 168610908

IUPACN-ethyl-N-phenyl-2-(1,2,2-tricyanoethenylamino)benzenesulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccccc1NC(C#N)=C(C#N)C#N
InChIInChI=1S/C19H15N5O2S/c1-2-24(16-8-4-3-5-9-16)27(25,26)19-11-7-6-10-17(19)23-18(14-22)15(12-20)13-21/h3-11,23H,2H2,1H3
InChIKeyWJQIMMISMMHEEM-UHFFFAOYSA-N
MW377.43 g/mol
LogP3.14
Rot. Bonds6

About N-ethyl-N-phenyl-2-(1,2,2-tricyanoethenylamino)benzenesulfonamide

N-ethyl-N-phenyl-2-(1,2,2-tricyanoethenylamino)benzenesulfonamide (PubChem CID 168610908) has the molecular formula C19H15N5O2S and a molecular weight of 377.43 g/mol. Its IUPAC name is N-ethyl-N-phenyl-2-(1,2,2-tricyanoethenylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-phenyl-2-(1,2,2-tricyanoethenylamino)benzenesulfonamide
PubChem CID168610908
Molecular FormulaC19H15N5O2S
Molecular Weight377.43 g/mol
Exact Mass377.09
IUPAC NameN-ethyl-N-phenyl-2-(1,2,2-tricyanoethenylamino)benzenesulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccccc1NC(C#N)=C(C#N)C#N
InChIInChI=1S/C19H15N5O2S/c1-2-24(16-8-4-3-5-9-16)27(25,26)19-11-7-6-10-17(19)23-18(14-22)15(12-20)13-21/h3-11,23H,2H2,1H3
InChIKeyWJQIMMISMMHEEM-UHFFFAOYSA-N
XLogP3.14
TPSA120.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.43
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(4-acetamidophenyl)-N-[2-[ethyl(phenyl)sulfamoyl]phenyl]acetamide
CID 108792688
N,N-dicyclohexyl-2-(1,2,2-tricyanoethenylamino)benzenesulfonamide
CID 168609371
N-[2-[ethyl(phenyl)sulfamoyl]phenyl]-4-(trifluoromethyl)benzamide
CID 108797110
N-[2-[ethyl(phenyl)sulfamoyl]phenyl]-3-methyl-1-benzofuran-2-carboxamide
CID 108793591
2-[ethyl(phenyl)sulfamoyl]benzoic acid
CID 18615557
N,N-diethyl-2-(1,2,2-tricyanoethenylamino)benzamide
CID 168609753
2-[2-(4-methylpiperazin-1-yl)sulfonylanilino]ethene-1,1,2-tricarbonitrile
CID 168608403
N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-1-cyanocyclohexane-1-carboxamide
CID 60584101
ethyl N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]carbamate
CID 3647141
2-(2-phenylanilino)ethene-1,1,2-tricarbonitrile
CID 168606413
N-ethyl-2-methoxy-4,5-dimethyl-N-phenylbenzenesulfonamide
CID 66485774
[2-(2-cyanoanilino)-2-oxoethyl] 4-[ethyl(phenyl)sulfamoyl]benzoate
CID 2497071

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-phenyl-2-(1,2,2-tricyanoethenylamino)benzenesulfonamide?
The IUPAC name of N-ethyl-N-phenyl-2-(1,2,2-tricyanoethenylamino)benzenesulfonamide (CID 168610908) is N-ethyl-N-phenyl-2-(1,2,2-tricyanoethenylamino)benzenesulfonamide.
What is the SMILES notation for N-ethyl-N-phenyl-2-(1,2,2-tricyanoethenylamino)benzenesulfonamide?
The canonical SMILES for N-ethyl-N-phenyl-2-(1,2,2-tricyanoethenylamino)benzenesulfonamide is CCN(c1ccccc1)S(=O)(=O)c1ccccc1NC(C#N)=C(C#N)C#N.
What is the InChIKey of N-ethyl-N-phenyl-2-(1,2,2-tricyanoethenylamino)benzenesulfonamide?
The InChIKey is WJQIMMISMMHEEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O2S/c1-2-24(16-8-4-3-5-9-16)27(25,26)19-11-7-6-10-17(19)23-18(14-22)15(12-20)13-21/h3-11,23H,2H2,1H3.
What are the key properties of N-ethyl-N-phenyl-2-(1,2,2-tricyanoethenylamino)benzenesulfonamide?
N-ethyl-N-phenyl-2-(1,2,2-tricyanoethenylamino)benzenesulfonamide has a molecular weight of 377.43 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-phenyl-2-(1,2,2-tricyanoethenylamino)benzenesulfonamide is sourced from PubChem (CID 168610908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).