diethyl-[2-[(2-methoxy-5-methylphenyl)sulfonylamino]ethyl]azanium

C14H25N2O3S+ — CID 8511849

IUPACdiethyl-[2-[(2-methoxy-5-methylphenyl)sulfonylamino]ethyl]azanium
SMILESCC[NH+](CC)CCNS(=O)(=O)c1cc(C)ccc1OC
InChIInChI=1S/C14H24N2O3S/c1-5-16(6-2)10-9-15-20(17,18)14-11-12(3)7-8-13(14)19-4/h7-8,11,15H,5-6,9-10H2,1-4H3/p+1
InChIKeyHTQRJRVJQSWRRR-UHFFFAOYSA-O
MW301.43 g/mol
LogP0.21
Rot. Bonds8

About diethyl-[2-[(2-methoxy-5-methylphenyl)sulfonylamino]ethyl]azanium

diethyl-[2-[(2-methoxy-5-methylphenyl)sulfonylamino]ethyl]azanium (PubChem CID 8511849) has the molecular formula C14H25N2O3S+ and a molecular weight of 301.43 g/mol. Its IUPAC name is diethyl-[2-[(2-methoxy-5-methylphenyl)sulfonylamino]ethyl]azanium.

Molecular Properties

Compound Namediethyl-[2-[(2-methoxy-5-methylphenyl)sulfonylamino]ethyl]azanium
PubChem CID8511849
Molecular FormulaC14H25N2O3S+
Molecular Weight301.43 g/mol
Exact Mass301.16
IUPAC Namediethyl-[2-[(2-methoxy-5-methylphenyl)sulfonylamino]ethyl]azanium
SMILESCC[NH+](CC)CCNS(=O)(=O)c1cc(C)ccc1OC
InChIInChI=1S/C14H24N2O3S/c1-5-16(6-2)10-9-15-20(17,18)14-11-12(3)7-8-13(14)19-4/h7-8,11,15H,5-6,9-10H2,1-4H3/p+1
InChIKeyHTQRJRVJQSWRRR-UHFFFAOYSA-O
XLogP0.21
TPSA59.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-5-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 967907
N-but-3-ynyl-2-methoxy-5-methylbenzenesulfonamide
CID 90537993
N-(3-aminobutyl)-2-methoxy-5-methylbenzenesulfonamide
CID 55169894
N-(3-hydroxybutyl)-2-methoxy-5-methylbenzenesulfonamide
CID 64913326
N-[2-(3,5-dimethoxyphenoxy)ethyl]-2-methoxy-5-methylbenzenesulfonamide
CID 113102100
2-methoxy-5-methyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]benzenesulfonamide
CID 113095698
N-[4-[(2-methoxy-5-methylphenyl)sulfonylamino]butyl]acetamide
CID 110358600
N-[2-[(2-methoxy-5-methylphenyl)sulfonylamino]ethyl]benzamide
CID 110292077
2-methoxy-5-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
CID 8800419
2-methoxy-N-(2-methoxypropyl)-5-methylbenzenesulfonamide
CID 102697579
2-methoxy-5-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide
CID 8824169
2-methoxy-5-methyl-N-[2-(phenylsulfamoyl)ethyl]benzenesulfonamide
CID 110601340

Frequently Asked Questions

What is the IUPAC name of diethyl-[2-[(2-methoxy-5-methylphenyl)sulfonylamino]ethyl]azanium?
The IUPAC name of diethyl-[2-[(2-methoxy-5-methylphenyl)sulfonylamino]ethyl]azanium (CID 8511849) is diethyl-[2-[(2-methoxy-5-methylphenyl)sulfonylamino]ethyl]azanium.
What is the SMILES notation for diethyl-[2-[(2-methoxy-5-methylphenyl)sulfonylamino]ethyl]azanium?
The canonical SMILES for diethyl-[2-[(2-methoxy-5-methylphenyl)sulfonylamino]ethyl]azanium is CC[NH+](CC)CCNS(=O)(=O)c1cc(C)ccc1OC.
What is the InChIKey of diethyl-[2-[(2-methoxy-5-methylphenyl)sulfonylamino]ethyl]azanium?
The InChIKey is HTQRJRVJQSWRRR-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H24N2O3S/c1-5-16(6-2)10-9-15-20(17,18)14-11-12(3)7-8-13(14)19-4/h7-8,11,15H,5-6,9-10H2,1-4H3/p+1.
What are the key properties of diethyl-[2-[(2-methoxy-5-methylphenyl)sulfonylamino]ethyl]azanium?
diethyl-[2-[(2-methoxy-5-methylphenyl)sulfonylamino]ethyl]azanium has a molecular weight of 301.43 g/mol, XLogP of 0.21, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-[2-[(2-methoxy-5-methylphenyl)sulfonylamino]ethyl]azanium is sourced from PubChem (CID 8511849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).