3-methoxy-2,4,5-trimethylbenzenesulfonamide

C10H15NO3S — CID 175068082

IUPAC3-methoxy-2,4,5-trimethylbenzenesulfonamide
SMILESCOc1c(C)c(C)cc(S(N)(=O)=O)c1C
InChIInChI=1S/C10H15NO3S/c1-6-5-9(15(11,12)13)8(3)10(14-4)7(6)2/h5H,1-4H3,(H2,11,12,13)
InChIKeyLYIKWUUWPGLKRT-UHFFFAOYSA-N
MW229.30 g/mol
LogP1.27
Rot. Bonds2

About 3-methoxy-2,4,5-trimethylbenzenesulfonamide

3-methoxy-2,4,5-trimethylbenzenesulfonamide (PubChem CID 175068082) has the molecular formula C10H15NO3S and a molecular weight of 229.30 g/mol. Its IUPAC name is 3-methoxy-2,4,5-trimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-methoxy-2,4,5-trimethylbenzenesulfonamide
PubChem CID175068082
Molecular FormulaC10H15NO3S
Molecular Weight229.30 g/mol
Exact Mass229.08
IUPAC Name3-methoxy-2,4,5-trimethylbenzenesulfonamide
SMILESCOc1c(C)c(C)cc(S(N)(=O)=O)c1C
InChIInChI=1S/C10H15NO3S/c1-6-5-9(15(11,12)13)8(3)10(14-4)7(6)2/h5H,1-4H3,(H2,11,12,13)
InChIKeyLYIKWUUWPGLKRT-UHFFFAOYSA-N
XLogP1.27
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-4,5-dimethylbenzenesulfonamide
CID 27241719
4,5-dimethoxy-2-methylbenzenesulfonamide
CID 35299033
2,4,5-trimethylbenzenesulfonamide
CID 961422
5-ethyl-2,3-dimethylbenzenesulfonamide
CID 58109757
4-bromo-5-methoxy-2-methylbenzenesulfonamide
CID 154254262
methyl 2-methoxy-3,4,6-trimethylbenzenesulfonate
CID 89257306
2,3,5-trimethyl-4-(4,4,4-trifluorobutoxy)benzenesulfonamide
CID 115514527
4-cyano-2-methoxy-5-methylbenzenesulfonamide
CID 171026986
2-methoxy-5-methyl-3-(sulfamoylamino)benzenesulfonamide
CID 115580034
2,3,5,6-tetramethylbenzenesulfonamide
CID 5028412
5-methyl-2,4-bis(trifluoromethyl)benzenesulfonamide
CID 119007924
2-(difluoromethyl)-6-methoxy-5-methylpyridine-3-sulfonamide
CID 119025071

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2,4,5-trimethylbenzenesulfonamide?
The IUPAC name of 3-methoxy-2,4,5-trimethylbenzenesulfonamide (CID 175068082) is 3-methoxy-2,4,5-trimethylbenzenesulfonamide.
What is the SMILES notation for 3-methoxy-2,4,5-trimethylbenzenesulfonamide?
The canonical SMILES for 3-methoxy-2,4,5-trimethylbenzenesulfonamide is COc1c(C)c(C)cc(S(N)(=O)=O)c1C.
What is the InChIKey of 3-methoxy-2,4,5-trimethylbenzenesulfonamide?
The InChIKey is LYIKWUUWPGLKRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3S/c1-6-5-9(15(11,12)13)8(3)10(14-4)7(6)2/h5H,1-4H3,(H2,11,12,13).
What are the key properties of 3-methoxy-2,4,5-trimethylbenzenesulfonamide?
3-methoxy-2,4,5-trimethylbenzenesulfonamide has a molecular weight of 229.30 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2,4,5-trimethylbenzenesulfonamide is sourced from PubChem (CID 175068082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).