3,4,5-trimethoxybenzenesulfonamide

C9H13NO5S — CID 18962050

IUPAC3,4,5-trimethoxybenzenesulfonamide
SMILESCOc1cc(S(N)(=O)=O)cc(OC)c1OC
InChIInChI=1S/C9H13NO5S/c1-13-7-4-6(16(10,11)12)5-8(14-2)9(7)15-3/h4-5H,1-3H3,(H2,10,11,12)
InChIKeyMJAHNNKQLXJQDX-UHFFFAOYSA-N
MW247.27 g/mol
LogP0.36
Rot. Bonds4

About 3,4,5-trimethoxybenzenesulfonamide

3,4,5-trimethoxybenzenesulfonamide (PubChem CID 18962050) has the molecular formula C9H13NO5S and a molecular weight of 247.27 g/mol. Its IUPAC name is 3,4,5-trimethoxybenzenesulfonamide.

Molecular Properties

Compound Name3,4,5-trimethoxybenzenesulfonamide
PubChem CID18962050
Molecular FormulaC9H13NO5S
Molecular Weight247.27 g/mol
Exact Mass247.05
IUPAC Name3,4,5-trimethoxybenzenesulfonamide
SMILESCOc1cc(S(N)(=O)=O)cc(OC)c1OC
InChIInChI=1S/C9H13NO5S/c1-13-7-4-6(16(10,11)12)5-8(14-2)9(7)15-3/h4-5H,1-3H3,(H2,10,11,12)
InChIKeyMJAHNNKQLXJQDX-UHFFFAOYSA-N
XLogP0.36
TPSA87.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxybenzenesulfonamide?
The IUPAC name of 3,4,5-trimethoxybenzenesulfonamide (CID 18962050) is 3,4,5-trimethoxybenzenesulfonamide.
What is the SMILES notation for 3,4,5-trimethoxybenzenesulfonamide?
The canonical SMILES for 3,4,5-trimethoxybenzenesulfonamide is COc1cc(S(N)(=O)=O)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxybenzenesulfonamide?
The InChIKey is MJAHNNKQLXJQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO5S/c1-13-7-4-6(16(10,11)12)5-8(14-2)9(7)15-3/h4-5H,1-3H3,(H2,10,11,12).
What are the key properties of 3,4,5-trimethoxybenzenesulfonamide?
3,4,5-trimethoxybenzenesulfonamide has a molecular weight of 247.27 g/mol, XLogP of 0.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxybenzenesulfonamide is sourced from PubChem (CID 18962050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).