N-butyl-2,3,5,6-tetramethylbenzenesulfonamide

C14H23NO2S — CID 2235137

IUPACN-butyl-2,3,5,6-tetramethylbenzenesulfonamide
SMILESCCCCNS(=O)(=O)c1c(C)c(C)cc(C)c1C
InChIInChI=1S/C14H23NO2S/c1-6-7-8-15-18(16,17)14-12(4)10(2)9-11(3)13(14)5/h9,15H,6-8H2,1-5H3
InChIKeyVBZWMAXHMMAQBH-UHFFFAOYSA-N
MW269.41 g/mol
LogP3.00
Rot. Bonds5

About N-butyl-2,3,5,6-tetramethylbenzenesulfonamide

N-butyl-2,3,5,6-tetramethylbenzenesulfonamide (PubChem CID 2235137) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is N-butyl-2,3,5,6-tetramethylbenzenesulfonamide.

Molecular Properties

Compound NameN-butyl-2,3,5,6-tetramethylbenzenesulfonamide
PubChem CID2235137
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC NameN-butyl-2,3,5,6-tetramethylbenzenesulfonamide
SMILESCCCCNS(=O)(=O)c1c(C)c(C)cc(C)c1C
InChIInChI=1S/C14H23NO2S/c1-6-7-8-15-18(16,17)14-12(4)10(2)9-11(3)13(14)5/h9,15H,6-8H2,1-5H3
InChIKeyVBZWMAXHMMAQBH-UHFFFAOYSA-N
XLogP3.00
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2,3,5,6-tetramethylbenzenesulfonamide?
The IUPAC name of N-butyl-2,3,5,6-tetramethylbenzenesulfonamide (CID 2235137) is N-butyl-2,3,5,6-tetramethylbenzenesulfonamide.
What is the SMILES notation for N-butyl-2,3,5,6-tetramethylbenzenesulfonamide?
The canonical SMILES for N-butyl-2,3,5,6-tetramethylbenzenesulfonamide is CCCCNS(=O)(=O)c1c(C)c(C)cc(C)c1C.
What is the InChIKey of N-butyl-2,3,5,6-tetramethylbenzenesulfonamide?
The InChIKey is VBZWMAXHMMAQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S/c1-6-7-8-15-18(16,17)14-12(4)10(2)9-11(3)13(14)5/h9,15H,6-8H2,1-5H3.
What are the key properties of N-butyl-2,3,5,6-tetramethylbenzenesulfonamide?
N-butyl-2,3,5,6-tetramethylbenzenesulfonamide has a molecular weight of 269.41 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2,3,5,6-tetramethylbenzenesulfonamide is sourced from PubChem (CID 2235137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).