4-methoxy-3-methylbenzenesulfonamide

C8H11NO3S — CID 847787

IUPAC4-methoxy-3-methylbenzenesulfonamide
SMILESCOc1ccc(S(N)(=O)=O)cc1C
InChIInChI=1S/C8H11NO3S/c1-6-5-7(13(9,10)11)3-4-8(6)12-2/h3-5H,1-2H3,(H2,9,10,11)
InChIKeyKVVBICXRDBQXOZ-UHFFFAOYSA-N
MW201.25 g/mol
LogP0.65
Rot. Bonds2

About 4-methoxy-3-methylbenzenesulfonamide

4-methoxy-3-methylbenzenesulfonamide (PubChem CID 847787) has the molecular formula C8H11NO3S and a molecular weight of 201.25 g/mol. Its IUPAC name is 4-methoxy-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-3-methylbenzenesulfonamide
PubChem CID847787
Molecular FormulaC8H11NO3S
Molecular Weight201.25 g/mol
Exact Mass201.05
IUPAC Name4-methoxy-3-methylbenzenesulfonamide
SMILESCOc1ccc(S(N)(=O)=O)cc1C
InChIInChI=1S/C8H11NO3S/c1-6-5-7(13(9,10)11)3-4-8(6)12-2/h3-5H,1-2H3,(H2,9,10,11)
InChIKeyKVVBICXRDBQXOZ-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 4-methoxy-3-methylbenzenesulfonamide?
The IUPAC name of 4-methoxy-3-methylbenzenesulfonamide (CID 847787) is 4-methoxy-3-methylbenzenesulfonamide.
What is the SMILES notation for 4-methoxy-3-methylbenzenesulfonamide?
The canonical SMILES for 4-methoxy-3-methylbenzenesulfonamide is COc1ccc(S(N)(=O)=O)cc1C.
What is the InChIKey of 4-methoxy-3-methylbenzenesulfonamide?
The InChIKey is KVVBICXRDBQXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3S/c1-6-5-7(13(9,10)11)3-4-8(6)12-2/h3-5H,1-2H3,(H2,9,10,11).
What are the key properties of 4-methoxy-3-methylbenzenesulfonamide?
4-methoxy-3-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 4-methoxy-3-methylbenzenesulfonamide is sourced from PubChem (CID 847787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).