2-methoxy-N,4,5-trimethylbenzenesulfonamide

C10H15NO3S — CID 27243257

IUPAC2-methoxy-N,4,5-trimethylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(C)c(C)cc1OC
InChIInChI=1S/C10H15NO3S/c1-7-5-9(14-4)10(6-8(7)2)15(12,13)11-3/h5-6,11H,1-4H3
InChIKeyQMMWAPHZJHQBDD-UHFFFAOYSA-N
MW229.30 g/mol
LogP1.22
Rot. Bonds3

About 2-methoxy-N,4,5-trimethylbenzenesulfonamide

2-methoxy-N,4,5-trimethylbenzenesulfonamide (PubChem CID 27243257) has the molecular formula C10H15NO3S and a molecular weight of 229.30 g/mol. Its IUPAC name is 2-methoxy-N,4,5-trimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-N,4,5-trimethylbenzenesulfonamide
PubChem CID27243257
Molecular FormulaC10H15NO3S
Molecular Weight229.30 g/mol
Exact Mass229.08
IUPAC Name2-methoxy-N,4,5-trimethylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(C)c(C)cc1OC
InChIInChI=1S/C10H15NO3S/c1-7-5-9(14-4)10(6-8(7)2)15(12,13)11-3/h5-6,11H,1-4H3
InChIKeyQMMWAPHZJHQBDD-UHFFFAOYSA-N
XLogP1.22
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dimethoxy-N,4-dimethylbenzenesulfonamide
CID 50876508
2-methoxy-4,5-dimethylbenzenesulfonohydrazide
CID 82081811
2-methoxy-4,5-dimethyl-N-(2-methylpropyl)benzenesulfonamide
CID 43845640
1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-N-methylmethanamine
CID 117036146
2-methoxy-4,5-dimethylbenzenesulfonamide
CID 27241719
CID 70601990
CID 70601990
N-(4-chlorophenyl)-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 9267447
N-(2,4-dimethoxyphenyl)-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 113098643
4-ethoxy-N,2,5-trimethylbenzenesulfonamide
CID 66485781
4-(2,5-dioxopyrrol-1-yl)-2,5-dimethoxy-N-methylbenzenesulfonamide
CID 21256278
N-[2-(methanesulfonamido)phenyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 113093442
2-methoxy-N,N,4,5-tetramethylbenzenesulfonamide
CID 6471319

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N,4,5-trimethylbenzenesulfonamide?
The IUPAC name of 2-methoxy-N,4,5-trimethylbenzenesulfonamide (CID 27243257) is 2-methoxy-N,4,5-trimethylbenzenesulfonamide.
What is the SMILES notation for 2-methoxy-N,4,5-trimethylbenzenesulfonamide?
The canonical SMILES for 2-methoxy-N,4,5-trimethylbenzenesulfonamide is CNS(=O)(=O)c1cc(C)c(C)cc1OC.
What is the InChIKey of 2-methoxy-N,4,5-trimethylbenzenesulfonamide?
The InChIKey is QMMWAPHZJHQBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3S/c1-7-5-9(14-4)10(6-8(7)2)15(12,13)11-3/h5-6,11H,1-4H3.
What are the key properties of 2-methoxy-N,4,5-trimethylbenzenesulfonamide?
2-methoxy-N,4,5-trimethylbenzenesulfonamide has a molecular weight of 229.30 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N,4,5-trimethylbenzenesulfonamide is sourced from PubChem (CID 27243257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).