2-methoxybenzenesulfonamide

C7H9NO3S — CID 4739144

IUPAC2-methoxybenzenesulfonamide
SMILESCOc1ccccc1S(N)(=O)=O
InChIInChI=1S/C7H9NO3S/c1-11-6-4-2-3-5-7(6)12(8,9)10/h2-5H,1H3,(H2,8,9,10)
InChIKeyMKQNYQGIPARLKO-UHFFFAOYSA-N
MW187.22 g/mol
LogP0.34
Rot. Bonds2

About 2-methoxybenzenesulfonamide

2-methoxybenzenesulfonamide (PubChem CID 4739144) has the molecular formula C7H9NO3S and a molecular weight of 187.22 g/mol. Its IUPAC name is 2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name2-methoxybenzenesulfonamide
PubChem CID4739144
Molecular FormulaC7H9NO3S
Molecular Weight187.22 g/mol
Exact Mass187.03
IUPAC Name2-methoxybenzenesulfonamide
SMILESCOc1ccccc1S(N)(=O)=O
InChIInChI=1S/C7H9NO3S/c1-11-6-4-2-3-5-7(6)12(8,9)10/h2-5H,1H3,(H2,8,9,10)
InChIKeyMKQNYQGIPARLKO-UHFFFAOYSA-N
XLogP0.34
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.22
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxybenzenesulfonamide?
The IUPAC name of 2-methoxybenzenesulfonamide (CID 4739144) is 2-methoxybenzenesulfonamide.
What is the SMILES notation for 2-methoxybenzenesulfonamide?
The canonical SMILES for 2-methoxybenzenesulfonamide is COc1ccccc1S(N)(=O)=O.
What is the InChIKey of 2-methoxybenzenesulfonamide?
The InChIKey is MKQNYQGIPARLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3S/c1-11-6-4-2-3-5-7(6)12(8,9)10/h2-5H,1H3,(H2,8,9,10).
What are the key properties of 2-methoxybenzenesulfonamide?
2-methoxybenzenesulfonamide has a molecular weight of 187.22 g/mol, XLogP of 0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxybenzenesulfonamide is sourced from PubChem (CID 4739144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).