4-cyano-N-ethyl-2-methyl-N-(2-methylpropyl)benzenesulfonamide

C14H20N2O2S — CID 106997233

IUPAC4-cyano-N-ethyl-2-methyl-N-(2-methylpropyl)benzenesulfonamide
SMILESCCN(CC(C)C)S(=O)(=O)c1ccc(C#N)cc1C
InChIInChI=1S/C14H20N2O2S/c1-5-16(10-11(2)3)19(17,18)14-7-6-13(9-15)8-12(14)4/h6-8,11H,5,10H2,1-4H3
InChIKeyXGXUOGYNLJQDDD-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.53
Rot. Bonds5

About 4-cyano-N-ethyl-2-methyl-N-(2-methylpropyl)benzenesulfonamide

4-cyano-N-ethyl-2-methyl-N-(2-methylpropyl)benzenesulfonamide (PubChem CID 106997233) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 4-cyano-N-ethyl-2-methyl-N-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-ethyl-2-methyl-N-(2-methylpropyl)benzenesulfonamide
PubChem CID106997233
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name4-cyano-N-ethyl-2-methyl-N-(2-methylpropyl)benzenesulfonamide
SMILESCCN(CC(C)C)S(=O)(=O)c1ccc(C#N)cc1C
InChIInChI=1S/C14H20N2O2S/c1-5-16(10-11(2)3)19(17,18)14-7-6-13(9-15)8-12(14)4/h6-8,11H,5,10H2,1-4H3
InChIKeyXGXUOGYNLJQDDD-UHFFFAOYSA-N
XLogP2.53
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

p-Toluenesulfonamide, N,N-diethyl-
CID 69539
2-cyano-N,N-dimethylbenzenesulfonamide
CID 697873
3-cyano-N,N-dimethylbenzenesulfonamide
CID 8467960
3,3'-(P-Tosylimino)dipropionitrile
CID 229494
Ditolamide
CID 208847
1-(Mesitylsulfonyl)pyrrolidine
CID 780023
p-Toluenesulfonamide, N,N-diisobutyl-
CID 347533
3-[4-(4-Methylphenyl)sulfonylpiperazin-1-yl]propanenitrile
CID 2427476
N,N-bis(cyanomethyl)-4-methylbenzenesulfonamide
CID 799168
1-[(2,4-Dimethylphenyl)sulfonyl]-4-methylpiperazine
CID 775782
N-butyl-N-ethyl-4-methylbenzenesulfonamide
CID 2164632
N,N-Diethyl-2,4,6-trimethylbenzenesulfonamide
CID 669055

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-ethyl-2-methyl-N-(2-methylpropyl)benzenesulfonamide?
The IUPAC name of 4-cyano-N-ethyl-2-methyl-N-(2-methylpropyl)benzenesulfonamide (CID 106997233) is 4-cyano-N-ethyl-2-methyl-N-(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for 4-cyano-N-ethyl-2-methyl-N-(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for 4-cyano-N-ethyl-2-methyl-N-(2-methylpropyl)benzenesulfonamide is CCN(CC(C)C)S(=O)(=O)c1ccc(C#N)cc1C.
What is the InChIKey of 4-cyano-N-ethyl-2-methyl-N-(2-methylpropyl)benzenesulfonamide?
The InChIKey is XGXUOGYNLJQDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-5-16(10-11(2)3)19(17,18)14-7-6-13(9-15)8-12(14)4/h6-8,11H,5,10H2,1-4H3.
What are the key properties of 4-cyano-N-ethyl-2-methyl-N-(2-methylpropyl)benzenesulfonamide?
4-cyano-N-ethyl-2-methyl-N-(2-methylpropyl)benzenesulfonamide has a molecular weight of 280.39 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-ethyl-2-methyl-N-(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 106997233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).