4-cyano-2,5-diethyl-N-methylbenzenesulfonamide

C12H16N2O2S — CID 21492097

IUPAC4-cyano-2,5-diethyl-N-methylbenzenesulfonamide
SMILESCCc1cc(S(=O)(=O)NC)c(CC)cc1C#N
InChIInChI=1S/C12H16N2O2S/c1-4-9-7-12(17(15,16)14-3)10(5-2)6-11(9)8-13/h6-7,14H,4-5H2,1-3H3
InChIKeyPTKFQHRULGLWBJ-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.59
Rot. Bonds4

About 4-cyano-2,5-diethyl-N-methylbenzenesulfonamide

4-cyano-2,5-diethyl-N-methylbenzenesulfonamide (PubChem CID 21492097) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is 4-cyano-2,5-diethyl-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-cyano-2,5-diethyl-N-methylbenzenesulfonamide
PubChem CID21492097
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC Name4-cyano-2,5-diethyl-N-methylbenzenesulfonamide
SMILESCCc1cc(S(=O)(=O)NC)c(CC)cc1C#N
InChIInChI=1S/C12H16N2O2S/c1-4-9-7-12(17(15,16)14-3)10(5-2)6-11(9)8-13/h6-7,14H,4-5H2,1-3H3
InChIKeyPTKFQHRULGLWBJ-UHFFFAOYSA-N
XLogP1.59
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-2,5-diethyl-N-methylbenzenesulfonamide?
The IUPAC name of 4-cyano-2,5-diethyl-N-methylbenzenesulfonamide (CID 21492097) is 4-cyano-2,5-diethyl-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-cyano-2,5-diethyl-N-methylbenzenesulfonamide?
The canonical SMILES for 4-cyano-2,5-diethyl-N-methylbenzenesulfonamide is CCc1cc(S(=O)(=O)NC)c(CC)cc1C#N.
What is the InChIKey of 4-cyano-2,5-diethyl-N-methylbenzenesulfonamide?
The InChIKey is PTKFQHRULGLWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c1-4-9-7-12(17(15,16)14-3)10(5-2)6-11(9)8-13/h6-7,14H,4-5H2,1-3H3.
What are the key properties of 4-cyano-2,5-diethyl-N-methylbenzenesulfonamide?
4-cyano-2,5-diethyl-N-methylbenzenesulfonamide has a molecular weight of 252.34 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-2,5-diethyl-N-methylbenzenesulfonamide is sourced from PubChem (CID 21492097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).