2-methoxy-3-propylbenzenesulfonamide

C10H15NO3S — CID 23023000

IUPAC2-methoxy-3-propylbenzenesulfonamide
SMILESCCCc1cccc(S(N)(=O)=O)c1OC
InChIInChI=1S/C10H15NO3S/c1-3-5-8-6-4-7-9(10(8)14-2)15(11,12)13/h4,6-7H,3,5H2,1-2H3,(H2,11,12,13)
InChIKeyVHNIORJSHIWCCH-UHFFFAOYSA-N
MW229.30 g/mol
LogP1.30
Rot. Bonds4

About 2-methoxy-3-propylbenzenesulfonamide

2-methoxy-3-propylbenzenesulfonamide (PubChem CID 23023000) has the molecular formula C10H15NO3S and a molecular weight of 229.30 g/mol. Its IUPAC name is 2-methoxy-3-propylbenzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-3-propylbenzenesulfonamide
PubChem CID23023000
Molecular FormulaC10H15NO3S
Molecular Weight229.30 g/mol
Exact Mass229.08
IUPAC Name2-methoxy-3-propylbenzenesulfonamide
SMILESCCCc1cccc(S(N)(=O)=O)c1OC
InChIInChI=1S/C10H15NO3S/c1-3-5-8-6-4-7-9(10(8)14-2)15(11,12)13/h4,6-7H,3,5H2,1-2H3,(H2,11,12,13)
InChIKeyVHNIORJSHIWCCH-UHFFFAOYSA-N
XLogP1.30
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-propylbenzenesulfonamide?
The IUPAC name of 2-methoxy-3-propylbenzenesulfonamide (CID 23023000) is 2-methoxy-3-propylbenzenesulfonamide.
What is the SMILES notation for 2-methoxy-3-propylbenzenesulfonamide?
The canonical SMILES for 2-methoxy-3-propylbenzenesulfonamide is CCCc1cccc(S(N)(=O)=O)c1OC.
What is the InChIKey of 2-methoxy-3-propylbenzenesulfonamide?
The InChIKey is VHNIORJSHIWCCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3S/c1-3-5-8-6-4-7-9(10(8)14-2)15(11,12)13/h4,6-7H,3,5H2,1-2H3,(H2,11,12,13).
What are the key properties of 2-methoxy-3-propylbenzenesulfonamide?
2-methoxy-3-propylbenzenesulfonamide has a molecular weight of 229.30 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-propylbenzenesulfonamide is sourced from PubChem (CID 23023000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).