N-[5-cyano-2-(ethylamino)phenyl]-4-(cyanomethyl)benzenesulfonamide

C17H16N4O2S — CID 71852673

IUPACN-[5-cyano-2-(ethylamino)phenyl]-4-(cyanomethyl)benzenesulfonamide
SMILESCCNc1ccc(C#N)cc1NS(=O)(=O)c1ccc(CC#N)cc1
InChIInChI=1S/C17H16N4O2S/c1-2-20-16-8-5-14(12-19)11-17(16)21-24(22,23)15-6-3-13(4-7-15)9-10-18/h3-8,11,20-21H,2,9H2,1H3
InChIKeyDDKVTYHMHKFYES-UHFFFAOYSA-N
MW340.41 g/mol
LogP2.86
Rot. Bonds6

About N-[5-cyano-2-(ethylamino)phenyl]-4-(cyanomethyl)benzenesulfonamide

N-[5-cyano-2-(ethylamino)phenyl]-4-(cyanomethyl)benzenesulfonamide (PubChem CID 71852673) has the molecular formula C17H16N4O2S and a molecular weight of 340.41 g/mol. Its IUPAC name is N-[5-cyano-2-(ethylamino)phenyl]-4-(cyanomethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[5-cyano-2-(ethylamino)phenyl]-4-(cyanomethyl)benzenesulfonamide
PubChem CID71852673
Molecular FormulaC17H16N4O2S
Molecular Weight340.41 g/mol
Exact Mass340.10
IUPAC NameN-[5-cyano-2-(ethylamino)phenyl]-4-(cyanomethyl)benzenesulfonamide
SMILESCCNc1ccc(C#N)cc1NS(=O)(=O)c1ccc(CC#N)cc1
InChIInChI=1S/C17H16N4O2S/c1-2-20-16-8-5-14(12-19)11-17(16)21-24(22,23)15-6-3-13(4-7-15)9-10-18/h3-8,11,20-21H,2,9H2,1H3
InChIKeyDDKVTYHMHKFYES-UHFFFAOYSA-N
XLogP2.86
TPSA105.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-bromo-2-methylphenyl)-4-(cyanomethyl)benzenesulfonamide
CID 79186001
N-(2-bromo-4-cyanophenyl)-4-(bromomethyl)benzenesulfonamide
CID 65482001
N-(4-bromo-2-fluorophenyl)-4-(cyanomethyl)benzenesulfonamide
CID 79186703
4-(cyanomethyl)-N-(2-hydroxy-4-methylphenyl)benzenesulfonamide
CID 79185670
N-[4-(cyanomethyl)phenyl]-4-propylbenzenesulfonamide
CID 25042511
N-(4-amino-2-chlorophenyl)-4-(cyanomethyl)benzenesulfonamide
CID 79185250
4-tert-butyl-N-[4-(cyanomethyl)phenyl]benzenesulfonamide
CID 25036783
4-(cyanomethyl)-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
CID 79186466
4-(cyanomethyl)-N-(2-iodophenyl)benzenesulfonamide
CID 79185029
N-(2-bromo-4-cyanophenyl)-4-(methylamino)benzenesulfonamide
CID 107793382
4-(cyanomethyl)-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 103721139
N-(5-amino-2-fluorophenyl)-4-(cyanomethyl)benzenesulfonamide
CID 79185246

Frequently Asked Questions

What is the IUPAC name of N-[5-cyano-2-(ethylamino)phenyl]-4-(cyanomethyl)benzenesulfonamide?
The IUPAC name of N-[5-cyano-2-(ethylamino)phenyl]-4-(cyanomethyl)benzenesulfonamide (CID 71852673) is N-[5-cyano-2-(ethylamino)phenyl]-4-(cyanomethyl)benzenesulfonamide.
What is the SMILES notation for N-[5-cyano-2-(ethylamino)phenyl]-4-(cyanomethyl)benzenesulfonamide?
The canonical SMILES for N-[5-cyano-2-(ethylamino)phenyl]-4-(cyanomethyl)benzenesulfonamide is CCNc1ccc(C#N)cc1NS(=O)(=O)c1ccc(CC#N)cc1.
What is the InChIKey of N-[5-cyano-2-(ethylamino)phenyl]-4-(cyanomethyl)benzenesulfonamide?
The InChIKey is DDKVTYHMHKFYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S/c1-2-20-16-8-5-14(12-19)11-17(16)21-24(22,23)15-6-3-13(4-7-15)9-10-18/h3-8,11,20-21H,2,9H2,1H3.
What are the key properties of N-[5-cyano-2-(ethylamino)phenyl]-4-(cyanomethyl)benzenesulfonamide?
N-[5-cyano-2-(ethylamino)phenyl]-4-(cyanomethyl)benzenesulfonamide has a molecular weight of 340.41 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-cyano-2-(ethylamino)phenyl]-4-(cyanomethyl)benzenesulfonamide is sourced from PubChem (CID 71852673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).