3,4-dimethoxy-N-(2-methylpropyl)benzenesulfonamide

C12H19NO4S — CID 4115865

IUPAC3,4-dimethoxy-N-(2-methylpropyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC(C)C)cc1OC
InChIInChI=1S/C12H19NO4S/c1-9(2)8-13-18(14,15)10-5-6-11(16-3)12(7-10)17-4/h5-7,9,13H,8H2,1-4H3
InChIKeyHSORCDSKNKAVMK-UHFFFAOYSA-N
MW273.35 g/mol
LogP1.64
Rot. Bonds6

About 3,4-dimethoxy-N-(2-methylpropyl)benzenesulfonamide

3,4-dimethoxy-N-(2-methylpropyl)benzenesulfonamide (PubChem CID 4115865) has the molecular formula C12H19NO4S and a molecular weight of 273.35 g/mol. Its IUPAC name is 3,4-dimethoxy-N-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-(2-methylpropyl)benzenesulfonamide
PubChem CID4115865
Molecular FormulaC12H19NO4S
Molecular Weight273.35 g/mol
Exact Mass273.10
IUPAC Name3,4-dimethoxy-N-(2-methylpropyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC(C)C)cc1OC
InChIInChI=1S/C12H19NO4S/c1-9(2)8-13-18(14,15)10-5-6-11(16-3)12(7-10)17-4/h5-7,9,13H,8H2,1-4H3
InChIKeyHSORCDSKNKAVMK-UHFFFAOYSA-N
XLogP1.64
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-(2-methylpropyl)benzenesulfonamide?
The IUPAC name of 3,4-dimethoxy-N-(2-methylpropyl)benzenesulfonamide (CID 4115865) is 3,4-dimethoxy-N-(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for 3,4-dimethoxy-N-(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for 3,4-dimethoxy-N-(2-methylpropyl)benzenesulfonamide is COc1ccc(S(=O)(=O)NCC(C)C)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-(2-methylpropyl)benzenesulfonamide?
The InChIKey is HSORCDSKNKAVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4S/c1-9(2)8-13-18(14,15)10-5-6-11(16-3)12(7-10)17-4/h5-7,9,13H,8H2,1-4H3.
What are the key properties of 3,4-dimethoxy-N-(2-methylpropyl)benzenesulfonamide?
3,4-dimethoxy-N-(2-methylpropyl)benzenesulfonamide has a molecular weight of 273.35 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 4115865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).