2,3,5,6-tetramethyl-N,N-bis(prop-2-enyl)benzenesulfonamide

C16H23NO2S — CID 19682221

IUPAC2,3,5,6-tetramethyl-N,N-bis(prop-2-enyl)benzenesulfonamide
SMILESC=CCN(CC=C)S(=O)(=O)c1c(C)c(C)cc(C)c1C
InChIInChI=1S/C16H23NO2S/c1-7-9-17(10-8-2)20(18,19)16-14(5)12(3)11-13(4)15(16)6/h7-8,11H,1-2,9-10H2,3-6H3
InChIKeyOQICNRTWSKDEBL-UHFFFAOYSA-N
MW293.43 g/mol
LogP3.28
Rot. Bonds6

About 2,3,5,6-tetramethyl-N,N-bis(prop-2-enyl)benzenesulfonamide

2,3,5,6-tetramethyl-N,N-bis(prop-2-enyl)benzenesulfonamide (PubChem CID 19682221) has the molecular formula C16H23NO2S and a molecular weight of 293.43 g/mol. Its IUPAC name is 2,3,5,6-tetramethyl-N,N-bis(prop-2-enyl)benzenesulfonamide.

Molecular Properties

Compound Name2,3,5,6-tetramethyl-N,N-bis(prop-2-enyl)benzenesulfonamide
PubChem CID19682221
Molecular FormulaC16H23NO2S
Molecular Weight293.43 g/mol
Exact Mass293.14
IUPAC Name2,3,5,6-tetramethyl-N,N-bis(prop-2-enyl)benzenesulfonamide
SMILESC=CCN(CC=C)S(=O)(=O)c1c(C)c(C)cc(C)c1C
InChIInChI=1S/C16H23NO2S/c1-7-9-17(10-8-2)20(18,19)16-14(5)12(3)11-13(4)15(16)6/h7-8,11H,1-2,9-10H2,3-6H3
InChIKeyOQICNRTWSKDEBL-UHFFFAOYSA-N
XLogP3.28
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetramethyl-N,N-bis(prop-2-enyl)benzenesulfonamide?
The IUPAC name of 2,3,5,6-tetramethyl-N,N-bis(prop-2-enyl)benzenesulfonamide (CID 19682221) is 2,3,5,6-tetramethyl-N,N-bis(prop-2-enyl)benzenesulfonamide.
What is the SMILES notation for 2,3,5,6-tetramethyl-N,N-bis(prop-2-enyl)benzenesulfonamide?
The canonical SMILES for 2,3,5,6-tetramethyl-N,N-bis(prop-2-enyl)benzenesulfonamide is C=CCN(CC=C)S(=O)(=O)c1c(C)c(C)cc(C)c1C.
What is the InChIKey of 2,3,5,6-tetramethyl-N,N-bis(prop-2-enyl)benzenesulfonamide?
The InChIKey is OQICNRTWSKDEBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2S/c1-7-9-17(10-8-2)20(18,19)16-14(5)12(3)11-13(4)15(16)6/h7-8,11H,1-2,9-10H2,3-6H3.
What are the key properties of 2,3,5,6-tetramethyl-N,N-bis(prop-2-enyl)benzenesulfonamide?
2,3,5,6-tetramethyl-N,N-bis(prop-2-enyl)benzenesulfonamide has a molecular weight of 293.43 g/mol, XLogP of 3.28, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetramethyl-N,N-bis(prop-2-enyl)benzenesulfonamide is sourced from PubChem (CID 19682221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).