5-amino-3-[2-(2-methoxyethoxy)ethoxy]-2-methylbenzenesulfonamide

C12H20N2O5S — CID 104559989

IUPAC5-amino-3-[2-(2-methoxyethoxy)ethoxy]-2-methylbenzenesulfonamide
SMILESCOCCOCCOc1cc(N)cc(S(N)(=O)=O)c1C
InChIInChI=1S/C12H20N2O5S/c1-9-11(19-6-5-18-4-3-17-2)7-10(13)8-12(9)20(14,15)16/h7-8H,3-6,13H2,1-2H3,(H2,14,15,16)
InChIKeyQMTXNTHQISSBGD-UHFFFAOYSA-N
MW304.37 g/mol
LogP0.27
Rot. Bonds8

About 5-amino-3-[2-(2-methoxyethoxy)ethoxy]-2-methylbenzenesulfonamide

5-amino-3-[2-(2-methoxyethoxy)ethoxy]-2-methylbenzenesulfonamide (PubChem CID 104559989) has the molecular formula C12H20N2O5S and a molecular weight of 304.37 g/mol. Its IUPAC name is 5-amino-3-[2-(2-methoxyethoxy)ethoxy]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-3-[2-(2-methoxyethoxy)ethoxy]-2-methylbenzenesulfonamide
PubChem CID104559989
Molecular FormulaC12H20N2O5S
Molecular Weight304.37 g/mol
Exact Mass304.11
IUPAC Name5-amino-3-[2-(2-methoxyethoxy)ethoxy]-2-methylbenzenesulfonamide
SMILESCOCCOCCOc1cc(N)cc(S(N)(=O)=O)c1C
InChIInChI=1S/C12H20N2O5S/c1-9-11(19-6-5-18-4-3-17-2)7-10(13)8-12(9)20(14,15)16/h7-8H,3-6,13H2,1-2H3,(H2,14,15,16)
InChIKeyQMTXNTHQISSBGD-UHFFFAOYSA-N
XLogP0.27
TPSA113.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-methyl-3-(2-propan-2-yloxyethoxy)benzenesulfonamide
CID 79904731
5-amino-2-[2-(2-methoxyethoxy)ethoxy]benzenesulfonamide
CID 104560023
5-amino-3-(1-methoxypropan-2-yloxy)-2-methylbenzenesulfonamide
CID 79904949
5-amino-3-[bis(2-methoxyethyl)amino]-2-methylbenzenesulfonamide
CID 79899801
5-amino-2-methyl-3-propan-2-yloxybenzenesulfonamide
CID 79904803
4-(2-methoxyethoxy)-2,5-dimethylbenzenesulfonamide
CID 43164561
5-amino-3-(3-methoxypropylamino)-2-methylbenzenesulfonamide
CID 79896730
5-amino-3-[3-methoxypropyl(methyl)amino]-2-methylbenzenesulfonamide
CID 79895968
3-chloro-5-(2-methoxyethoxy)-4-methylaniline;hydrochloride
CID 156721931
4-[2-(3-methoxypropoxy)ethoxy]-2,3-dimethylbenzenesulfonamide
CID 103180943
3-butoxy-4-methyl-5-sulfamoylbenzoic acid
CID 119091613
4-amino-2-[2-(2-methoxyethoxy)ethoxy]benzoic acid
CID 104564131

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[2-(2-methoxyethoxy)ethoxy]-2-methylbenzenesulfonamide?
The IUPAC name of 5-amino-3-[2-(2-methoxyethoxy)ethoxy]-2-methylbenzenesulfonamide (CID 104559989) is 5-amino-3-[2-(2-methoxyethoxy)ethoxy]-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-3-[2-(2-methoxyethoxy)ethoxy]-2-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-3-[2-(2-methoxyethoxy)ethoxy]-2-methylbenzenesulfonamide is COCCOCCOc1cc(N)cc(S(N)(=O)=O)c1C.
What is the InChIKey of 5-amino-3-[2-(2-methoxyethoxy)ethoxy]-2-methylbenzenesulfonamide?
The InChIKey is QMTXNTHQISSBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O5S/c1-9-11(19-6-5-18-4-3-17-2)7-10(13)8-12(9)20(14,15)16/h7-8H,3-6,13H2,1-2H3,(H2,14,15,16).
What are the key properties of 5-amino-3-[2-(2-methoxyethoxy)ethoxy]-2-methylbenzenesulfonamide?
5-amino-3-[2-(2-methoxyethoxy)ethoxy]-2-methylbenzenesulfonamide has a molecular weight of 304.37 g/mol, XLogP of 0.27, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-[2-(2-methoxyethoxy)ethoxy]-2-methylbenzenesulfonamide is sourced from PubChem (CID 104559989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).