3,4,5-trimethoxy-N-(propylsulfamoyl)aniline

C12H20N2O5S — CID 110426852

IUPAC3,4,5-trimethoxy-N-(propylsulfamoyl)aniline
SMILESCCCNS(=O)(=O)Nc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C12H20N2O5S/c1-5-6-13-20(15,16)14-9-7-10(17-2)12(19-4)11(8-9)18-3/h7-8,13-14H,5-6H2,1-4H3
InChIKeyZTXOCULRVVKOBZ-UHFFFAOYSA-N
MW304.37 g/mol
LogP1.37
Rot. Bonds8

About 3,4,5-trimethoxy-N-(propylsulfamoyl)aniline

3,4,5-trimethoxy-N-(propylsulfamoyl)aniline (PubChem CID 110426852) has the molecular formula C12H20N2O5S and a molecular weight of 304.37 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-(propylsulfamoyl)aniline.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-(propylsulfamoyl)aniline
PubChem CID110426852
Molecular FormulaC12H20N2O5S
Molecular Weight304.37 g/mol
Exact Mass304.11
IUPAC Name3,4,5-trimethoxy-N-(propylsulfamoyl)aniline
SMILESCCCNS(=O)(=O)Nc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C12H20N2O5S/c1-5-6-13-20(15,16)14-9-7-10(17-2)12(19-4)11(8-9)18-3/h7-8,13-14H,5-6H2,1-4H3
InChIKeyZTXOCULRVVKOBZ-UHFFFAOYSA-N
XLogP1.37
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-4-(propylsulfamoylamino)benzoic acid
CID 107208921
1-bromo-N-(3,4,5-trimethoxyphenyl)methanesulfonamide
CID 83092973
3-bromo-5-methyl-N-(propylsulfamoyl)aniline
CID 110614185
4-amino-N-(3,4,5-trimethoxyphenyl)butane-1-sulfonamide
CID 61456060
5-fluoro-3-N-(propylsulfamoyl)benzene-1,3-diamine
CID 107334287
2-(propylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 113000933
2-methoxy-4-N-(2-methoxyethylsulfamoyl)benzene-1,4-diamine
CID 114815986
N-[(3,4,5-trimethoxyphenyl)methyl]propan-1-amine;hydrochloride
CID 17293493
N-propyl-N'-(3,4,5-trimethoxyphenyl)propanediamide
CID 108940751
3-(propylamino)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 109011622
N-hexyl-3,4,5-trimethoxyaniline
CID 28876878
4-methyl-1-N-(propylsulfamoyl)benzene-1,3-diamine
CID 114804266

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-(propylsulfamoyl)aniline?
The IUPAC name of 3,4,5-trimethoxy-N-(propylsulfamoyl)aniline (CID 110426852) is 3,4,5-trimethoxy-N-(propylsulfamoyl)aniline.
What is the SMILES notation for 3,4,5-trimethoxy-N-(propylsulfamoyl)aniline?
The canonical SMILES for 3,4,5-trimethoxy-N-(propylsulfamoyl)aniline is CCCNS(=O)(=O)Nc1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of 3,4,5-trimethoxy-N-(propylsulfamoyl)aniline?
The InChIKey is ZTXOCULRVVKOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O5S/c1-5-6-13-20(15,16)14-9-7-10(17-2)12(19-4)11(8-9)18-3/h7-8,13-14H,5-6H2,1-4H3.
What are the key properties of 3,4,5-trimethoxy-N-(propylsulfamoyl)aniline?
3,4,5-trimethoxy-N-(propylsulfamoyl)aniline has a molecular weight of 304.37 g/mol, XLogP of 1.37, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-(propylsulfamoyl)aniline is sourced from PubChem (CID 110426852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).