4-cyano-N-(4-ethylphenyl)-N-methylbenzenesulfonamide

C16H16N2O2S — CID 62001878

IUPAC4-cyano-N-(4-ethylphenyl)-N-methylbenzenesulfonamide
SMILESCCc1ccc(N(C)S(=O)(=O)c2ccc(C#N)cc2)cc1
InChIInChI=1S/C16H16N2O2S/c1-3-13-4-8-15(9-5-13)18(2)21(19,20)16-10-6-14(12-17)7-11-16/h4-11H,3H2,1-2H3
InChIKeyPXYIJRIJGQENEO-UHFFFAOYSA-N
MW300.38 g/mol
LogP2.95
Rot. Bonds4

About 4-cyano-N-(4-ethylphenyl)-N-methylbenzenesulfonamide

4-cyano-N-(4-ethylphenyl)-N-methylbenzenesulfonamide (PubChem CID 62001878) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is 4-cyano-N-(4-ethylphenyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-(4-ethylphenyl)-N-methylbenzenesulfonamide
PubChem CID62001878
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name4-cyano-N-(4-ethylphenyl)-N-methylbenzenesulfonamide
SMILESCCc1ccc(N(C)S(=O)(=O)c2ccc(C#N)cc2)cc1
InChIInChI=1S/C16H16N2O2S/c1-3-13-4-8-15(9-5-13)18(2)21(19,20)16-10-6-14(12-17)7-11-16/h4-11H,3H2,1-2H3
InChIKeyPXYIJRIJGQENEO-UHFFFAOYSA-N
XLogP2.95
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-(4-ethylphenyl)-N-methylbenzenesulfonamide
CID 62001773
N-[4-[(4-cyanophenyl)-methylsulfamoyl]phenyl]acetamide
CID 121238654
3-cyano-N-(4-cyanophenyl)-N-methylbenzenesulfonamide
CID 62982247
N-(4-ethylphenyl)-4-(4-methoxyphenoxy)-N-methylbenzenesulfonamide
CID 166311152
3-amino-N-(4-cyanophenyl)-N,4-dimethylbenzenesulfonamide
CID 62982630
[4-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl] 4-cyanobenzoate
CID 4813547
4-bromo-N-(4-cyanophenyl)-3-fluoro-N-methylbenzenesulfonamide
CID 107650281
3-bromo-4-chloro-N-(4-cyanophenyl)-N-methylbenzenesulfonamide
CID 106605814
[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl] 4-cyanobenzoate
CID 26203204
4-ethylbenzonitrile;fluoromethane
CID 143083977
N-(4-cyanophenyl)-N,1-dimethylpyrazole-4-sulfonamide
CID 62981381
N-(3-amino-4-fluorophenyl)-4-ethyl-N-methylbenzenesulfonamide
CID 39444297

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(4-ethylphenyl)-N-methylbenzenesulfonamide?
The IUPAC name of 4-cyano-N-(4-ethylphenyl)-N-methylbenzenesulfonamide (CID 62001878) is 4-cyano-N-(4-ethylphenyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-cyano-N-(4-ethylphenyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 4-cyano-N-(4-ethylphenyl)-N-methylbenzenesulfonamide is CCc1ccc(N(C)S(=O)(=O)c2ccc(C#N)cc2)cc1.
What is the InChIKey of 4-cyano-N-(4-ethylphenyl)-N-methylbenzenesulfonamide?
The InChIKey is PXYIJRIJGQENEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-3-13-4-8-15(9-5-13)18(2)21(19,20)16-10-6-14(12-17)7-11-16/h4-11H,3H2,1-2H3.
What are the key properties of 4-cyano-N-(4-ethylphenyl)-N-methylbenzenesulfonamide?
4-cyano-N-(4-ethylphenyl)-N-methylbenzenesulfonamide has a molecular weight of 300.38 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(4-ethylphenyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 62001878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).