4-cyano-N,2-dimethyl-N-pentylbenzenesulfonamide

C14H20N2O2S — CID 106997235

IUPAC4-cyano-N,2-dimethyl-N-pentylbenzenesulfonamide
SMILESCCCCCN(C)S(=O)(=O)c1ccc(C#N)cc1C
InChIInChI=1S/C14H20N2O2S/c1-4-5-6-9-16(3)19(17,18)14-8-7-13(11-15)10-12(14)2/h7-8,10H,4-6,9H2,1-3H3
InChIKeyKGBYGMOSJFZAHS-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.68
Rot. Bonds6

About 4-cyano-N,2-dimethyl-N-pentylbenzenesulfonamide

4-cyano-N,2-dimethyl-N-pentylbenzenesulfonamide (PubChem CID 106997235) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 4-cyano-N,2-dimethyl-N-pentylbenzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N,2-dimethyl-N-pentylbenzenesulfonamide
PubChem CID106997235
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name4-cyano-N,2-dimethyl-N-pentylbenzenesulfonamide
SMILESCCCCCN(C)S(=O)(=O)c1ccc(C#N)cc1C
InChIInChI=1S/C14H20N2O2S/c1-4-5-6-9-16(3)19(17,18)14-8-7-13(11-15)10-12(14)2/h7-8,10H,4-6,9H2,1-3H3
InChIKeyKGBYGMOSJFZAHS-UHFFFAOYSA-N
XLogP2.68
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)-4-cyano-N,2-dimethylbenzenesulfonamide
CID 103829032
4-cyano-N-(2-hydroxyethyl)-N,2-dimethylbenzenesulfonamide
CID 103833705
4-cyano-N,N,2-trimethylbenzenesulfonamide
CID 103688766
4-amino-N-butyl-N,2-dimethylbenzenesulfonamide
CID 43258018
N-(2-bromoethyl)-5-cyano-N,2-dimethylbenzenesulfonamide
CID 106441867
5-cyano-N-(2-ethoxyethyl)-N,2-dimethylbenzenesulfonamide
CID 81056476
4-cyano-N-ethyl-2-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 106997233
4-cyano-N,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide
CID 106997278
4-bromo-2-ethyl-N-methyl-N-pentylbenzenesulfonamide
CID 3592900
2-amino-N-butyl-4-cyano-N-ethylbenzenesulfonamide
CID 64899980
4-cyano-N,2-dimethyl-N-(oxan-4-yl)benzenesulfonamide
CID 103717226
2-chloro-4-cyano-N-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 103989140

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N,2-dimethyl-N-pentylbenzenesulfonamide?
The IUPAC name of 4-cyano-N,2-dimethyl-N-pentylbenzenesulfonamide (CID 106997235) is 4-cyano-N,2-dimethyl-N-pentylbenzenesulfonamide.
What is the SMILES notation for 4-cyano-N,2-dimethyl-N-pentylbenzenesulfonamide?
The canonical SMILES for 4-cyano-N,2-dimethyl-N-pentylbenzenesulfonamide is CCCCCN(C)S(=O)(=O)c1ccc(C#N)cc1C.
What is the InChIKey of 4-cyano-N,2-dimethyl-N-pentylbenzenesulfonamide?
The InChIKey is KGBYGMOSJFZAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-4-5-6-9-16(3)19(17,18)14-8-7-13(11-15)10-12(14)2/h7-8,10H,4-6,9H2,1-3H3.
What are the key properties of 4-cyano-N,2-dimethyl-N-pentylbenzenesulfonamide?
4-cyano-N,2-dimethyl-N-pentylbenzenesulfonamide has a molecular weight of 280.39 g/mol, XLogP of 2.68, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N,2-dimethyl-N-pentylbenzenesulfonamide is sourced from PubChem (CID 106997235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).