N-methoxy-N,2,3,5,6-pentamethylbenzenesulfonamide

C12H19NO3S — CID 8798342

IUPACN-methoxy-N,2,3,5,6-pentamethylbenzenesulfonamide
SMILESCON(C)S(=O)(=O)c1c(C)c(C)cc(C)c1C
InChIInChI=1S/C12H19NO3S/c1-8-7-9(2)11(4)12(10(8)3)17(14,15)13(5)16-6/h7H,1-6H3
InChIKeyMVLXOVKEUMCZCP-UHFFFAOYSA-N
MW257.35 g/mol
LogP2.10
Rot. Bonds3

About N-methoxy-N,2,3,5,6-pentamethylbenzenesulfonamide

N-methoxy-N,2,3,5,6-pentamethylbenzenesulfonamide (PubChem CID 8798342) has the molecular formula C12H19NO3S and a molecular weight of 257.35 g/mol. Its IUPAC name is N-methoxy-N,2,3,5,6-pentamethylbenzenesulfonamide.

Molecular Properties

Compound NameN-methoxy-N,2,3,5,6-pentamethylbenzenesulfonamide
PubChem CID8798342
Molecular FormulaC12H19NO3S
Molecular Weight257.35 g/mol
Exact Mass257.11
IUPAC NameN-methoxy-N,2,3,5,6-pentamethylbenzenesulfonamide
SMILESCON(C)S(=O)(=O)c1c(C)c(C)cc(C)c1C
InChIInChI=1S/C12H19NO3S/c1-8-7-9(2)11(4)12(10(8)3)17(14,15)13(5)16-6/h7H,1-6H3
InChIKeyMVLXOVKEUMCZCP-UHFFFAOYSA-N
XLogP2.10
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-N,2,3,5,6-pentamethylbenzenesulfonamide?
The IUPAC name of N-methoxy-N,2,3,5,6-pentamethylbenzenesulfonamide (CID 8798342) is N-methoxy-N,2,3,5,6-pentamethylbenzenesulfonamide.
What is the SMILES notation for N-methoxy-N,2,3,5,6-pentamethylbenzenesulfonamide?
The canonical SMILES for N-methoxy-N,2,3,5,6-pentamethylbenzenesulfonamide is CON(C)S(=O)(=O)c1c(C)c(C)cc(C)c1C.
What is the InChIKey of N-methoxy-N,2,3,5,6-pentamethylbenzenesulfonamide?
The InChIKey is MVLXOVKEUMCZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3S/c1-8-7-9(2)11(4)12(10(8)3)17(14,15)13(5)16-6/h7H,1-6H3.
What are the key properties of N-methoxy-N,2,3,5,6-pentamethylbenzenesulfonamide?
N-methoxy-N,2,3,5,6-pentamethylbenzenesulfonamide has a molecular weight of 257.35 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N,2,3,5,6-pentamethylbenzenesulfonamide is sourced from PubChem (CID 8798342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).