3-amino-N-(3,5-dimethoxyphenyl)propane-1-sulfonamide

C11H18N2O4S — CID 54944430

IUPAC3-amino-N-(3,5-dimethoxyphenyl)propane-1-sulfonamide
SMILESCOc1cc(NS(=O)(=O)CCCN)cc(OC)c1
InChIInChI=1S/C11H18N2O4S/c1-16-10-6-9(7-11(8-10)17-2)13-18(14,15)5-3-4-12/h6-8,13H,3-5,12H2,1-2H3
InChIKeyUZYWOSAQWPONDG-UHFFFAOYSA-N
MW274.34 g/mol
LogP0.79
Rot. Bonds7

About 3-amino-N-(3,5-dimethoxyphenyl)propane-1-sulfonamide

3-amino-N-(3,5-dimethoxyphenyl)propane-1-sulfonamide (PubChem CID 54944430) has the molecular formula C11H18N2O4S and a molecular weight of 274.34 g/mol. Its IUPAC name is 3-amino-N-(3,5-dimethoxyphenyl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-amino-N-(3,5-dimethoxyphenyl)propane-1-sulfonamide
PubChem CID54944430
Molecular FormulaC11H18N2O4S
Molecular Weight274.34 g/mol
Exact Mass274.10
IUPAC Name3-amino-N-(3,5-dimethoxyphenyl)propane-1-sulfonamide
SMILESCOc1cc(NS(=O)(=O)CCCN)cc(OC)c1
InChIInChI=1S/C11H18N2O4S/c1-16-10-6-9(7-11(8-10)17-2)13-18(14,15)5-3-4-12/h6-8,13H,3-5,12H2,1-2H3
InChIKeyUZYWOSAQWPONDG-UHFFFAOYSA-N
XLogP0.79
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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N-(3-methoxyphenyl)nonane-1-sulfonamide
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3-amino-N-(4-fluoro-3-methylphenyl)propane-1-sulfonamide
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3-amino-N-[(3-methoxyphenyl)methyl]propane-1-sulfonamide
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N-(3,5-dimethoxyphenyl)-2-[(3,5-dimethoxyphenyl)sulfamoyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3,5-dimethoxyphenyl)propane-1-sulfonamide?
The IUPAC name of 3-amino-N-(3,5-dimethoxyphenyl)propane-1-sulfonamide (CID 54944430) is 3-amino-N-(3,5-dimethoxyphenyl)propane-1-sulfonamide.
What is the SMILES notation for 3-amino-N-(3,5-dimethoxyphenyl)propane-1-sulfonamide?
The canonical SMILES for 3-amino-N-(3,5-dimethoxyphenyl)propane-1-sulfonamide is COc1cc(NS(=O)(=O)CCCN)cc(OC)c1.
What is the InChIKey of 3-amino-N-(3,5-dimethoxyphenyl)propane-1-sulfonamide?
The InChIKey is UZYWOSAQWPONDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4S/c1-16-10-6-9(7-11(8-10)17-2)13-18(14,15)5-3-4-12/h6-8,13H,3-5,12H2,1-2H3.
What are the key properties of 3-amino-N-(3,5-dimethoxyphenyl)propane-1-sulfonamide?
3-amino-N-(3,5-dimethoxyphenyl)propane-1-sulfonamide has a molecular weight of 274.34 g/mol, XLogP of 0.79, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3,5-dimethoxyphenyl)propane-1-sulfonamide is sourced from PubChem (CID 54944430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).