2-methoxy-4-methylbenzenesulfonamide

C8H11NO3S — CID 5093369

IUPAC2-methoxy-4-methylbenzenesulfonamide
SMILESCOc1cc(C)ccc1S(N)(=O)=O
InChIInChI=1S/C8H11NO3S/c1-6-3-4-8(13(9,10)11)7(5-6)12-2/h3-5H,1-2H3,(H2,9,10,11)
InChIKeyGQUFSEOISDLWMN-UHFFFAOYSA-N
MW201.25 g/mol
LogP0.65
Rot. Bonds2

About 2-methoxy-4-methylbenzenesulfonamide

2-methoxy-4-methylbenzenesulfonamide (PubChem CID 5093369) has the molecular formula C8H11NO3S and a molecular weight of 201.25 g/mol. Its IUPAC name is 2-methoxy-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-4-methylbenzenesulfonamide
PubChem CID5093369
Molecular FormulaC8H11NO3S
Molecular Weight201.25 g/mol
Exact Mass201.05
IUPAC Name2-methoxy-4-methylbenzenesulfonamide
SMILESCOc1cc(C)ccc1S(N)(=O)=O
InChIInChI=1S/C8H11NO3S/c1-6-3-4-8(13(9,10)11)7(5-6)12-2/h3-5H,1-2H3,(H2,9,10,11)
InChIKeyGQUFSEOISDLWMN-UHFFFAOYSA-N
XLogP0.65
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-methylbenzenesulfonamide?
The IUPAC name of 2-methoxy-4-methylbenzenesulfonamide (CID 5093369) is 2-methoxy-4-methylbenzenesulfonamide.
What is the SMILES notation for 2-methoxy-4-methylbenzenesulfonamide?
The canonical SMILES for 2-methoxy-4-methylbenzenesulfonamide is COc1cc(C)ccc1S(N)(=O)=O.
What is the InChIKey of 2-methoxy-4-methylbenzenesulfonamide?
The InChIKey is GQUFSEOISDLWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3S/c1-6-3-4-8(13(9,10)11)7(5-6)12-2/h3-5H,1-2H3,(H2,9,10,11).
What are the key properties of 2-methoxy-4-methylbenzenesulfonamide?
2-methoxy-4-methylbenzenesulfonamide has a molecular weight of 201.25 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-methylbenzenesulfonamide is sourced from PubChem (CID 5093369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).