N-methoxy-N,2,3,6-tetramethylbenzenesulfonamide

C11H17NO3S — CID 91171043

IUPACN-methoxy-N,2,3,6-tetramethylbenzenesulfonamide
SMILESCON(C)S(=O)(=O)c1c(C)ccc(C)c1C
InChIInChI=1S/C11H17NO3S/c1-8-6-7-9(2)11(10(8)3)16(13,14)12(4)15-5/h6-7H,1-5H3
InChIKeyQDNKADUOKHMUGV-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.79
Rot. Bonds3

About N-methoxy-N,2,3,6-tetramethylbenzenesulfonamide

N-methoxy-N,2,3,6-tetramethylbenzenesulfonamide (PubChem CID 91171043) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is N-methoxy-N,2,3,6-tetramethylbenzenesulfonamide.

Molecular Properties

Compound NameN-methoxy-N,2,3,6-tetramethylbenzenesulfonamide
PubChem CID91171043
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC NameN-methoxy-N,2,3,6-tetramethylbenzenesulfonamide
SMILESCON(C)S(=O)(=O)c1c(C)ccc(C)c1C
InChIInChI=1S/C11H17NO3S/c1-8-6-7-9(2)11(10(8)3)16(13,14)12(4)15-5/h6-7H,1-5H3
InChIKeyQDNKADUOKHMUGV-UHFFFAOYSA-N
XLogP1.79
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.79
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,2,3,6-tetramethylbenzenesulfonamide?
The IUPAC name of N-methoxy-N,2,3,6-tetramethylbenzenesulfonamide (CID 91171043) is N-methoxy-N,2,3,6-tetramethylbenzenesulfonamide.
What is the SMILES notation for N-methoxy-N,2,3,6-tetramethylbenzenesulfonamide?
The canonical SMILES for N-methoxy-N,2,3,6-tetramethylbenzenesulfonamide is CON(C)S(=O)(=O)c1c(C)ccc(C)c1C.
What is the InChIKey of N-methoxy-N,2,3,6-tetramethylbenzenesulfonamide?
The InChIKey is QDNKADUOKHMUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c1-8-6-7-9(2)11(10(8)3)16(13,14)12(4)15-5/h6-7H,1-5H3.
What are the key properties of N-methoxy-N,2,3,6-tetramethylbenzenesulfonamide?
N-methoxy-N,2,3,6-tetramethylbenzenesulfonamide has a molecular weight of 243.33 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N,2,3,6-tetramethylbenzenesulfonamide is sourced from PubChem (CID 91171043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).