4-amino-3-methoxy-N-[2-(2-methoxyethoxy)ethyl]benzenesulfonamide

C12H20N2O5S — CID 81437876

IUPAC4-amino-3-methoxy-N-[2-(2-methoxyethoxy)ethyl]benzenesulfonamide
SMILESCOCCOCCNS(=O)(=O)c1ccc(N)c(OC)c1
InChIInChI=1S/C12H20N2O5S/c1-17-7-8-19-6-5-14-20(15,16)10-3-4-11(13)12(9-10)18-2/h3-4,9,14H,5-8,13H2,1-2H3
InChIKeyAPYSLHNGEFKRRU-UHFFFAOYSA-N
MW304.37 g/mol
LogP0.22
Rot. Bonds9

About 4-amino-3-methoxy-N-[2-(2-methoxyethoxy)ethyl]benzenesulfonamide

4-amino-3-methoxy-N-[2-(2-methoxyethoxy)ethyl]benzenesulfonamide (PubChem CID 81437876) has the molecular formula C12H20N2O5S and a molecular weight of 304.37 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-[2-(2-methoxyethoxy)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-methoxy-N-[2-(2-methoxyethoxy)ethyl]benzenesulfonamide
PubChem CID81437876
Molecular FormulaC12H20N2O5S
Molecular Weight304.37 g/mol
Exact Mass304.11
IUPAC Name4-amino-3-methoxy-N-[2-(2-methoxyethoxy)ethyl]benzenesulfonamide
SMILESCOCCOCCNS(=O)(=O)c1ccc(N)c(OC)c1
InChIInChI=1S/C12H20N2O5S/c1-17-7-8-19-6-5-14-20(15,16)10-3-4-11(13)12(9-10)18-2/h3-4,9,14H,5-8,13H2,1-2H3
InChIKeyAPYSLHNGEFKRRU-UHFFFAOYSA-N
XLogP0.22
TPSA99.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 50.22
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

4-amino-3-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzenesulfonamide
CID 114464967
4-amino-N-[3-(methanesulfonamido)propyl]-3-methoxybenzenesulfonamide
CID 106333246
4-amino-N-but-3-ynyl-3-methoxybenzenesulfonamide
CID 81438222
4-amino-N-[4-(dimethylamino)butyl]-3-methoxybenzenesulfonamide
CID 81438619
4-amino-3-methoxy-N-(4-propan-2-yloxybutyl)benzenesulfonamide
CID 106006616
4-amino-N-(2-hydroxy-3-methoxypropyl)-3-methoxybenzenesulfonamide
CID 81438556
4-amino-N-(cyclopropylmethyl)-3-methoxybenzenesulfonamide
CID 81438601
3-bromo-4-methoxy-N-(2-methoxyethyl)benzenesulfonamide
CID 2880554
4-amino-N-[2-(furan-2-yl)ethyl]-3-methoxybenzenesulfonamide
CID 81438347
tert-butyl N-[2-[2-[2-[2-(4-amino-3-methoxyphenyl)sulfonylethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 177247080
3-amino-4-[2-(2-methoxyethoxy)ethoxy]-N-methylbenzenesulfonamide
CID 104559947
4-amino-3-[2-(2-methoxyethoxy)ethylamino]-N-methylbenzenesulfonamide
CID 82899707

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-[2-(2-methoxyethoxy)ethyl]benzenesulfonamide?
The IUPAC name of 4-amino-3-methoxy-N-[2-(2-methoxyethoxy)ethyl]benzenesulfonamide (CID 81437876) is 4-amino-3-methoxy-N-[2-(2-methoxyethoxy)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-amino-3-methoxy-N-[2-(2-methoxyethoxy)ethyl]benzenesulfonamide?
The canonical SMILES for 4-amino-3-methoxy-N-[2-(2-methoxyethoxy)ethyl]benzenesulfonamide is COCCOCCNS(=O)(=O)c1ccc(N)c(OC)c1.
What is the InChIKey of 4-amino-3-methoxy-N-[2-(2-methoxyethoxy)ethyl]benzenesulfonamide?
The InChIKey is APYSLHNGEFKRRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O5S/c1-17-7-8-19-6-5-14-20(15,16)10-3-4-11(13)12(9-10)18-2/h3-4,9,14H,5-8,13H2,1-2H3.
What are the key properties of 4-amino-3-methoxy-N-[2-(2-methoxyethoxy)ethyl]benzenesulfonamide?
4-amino-3-methoxy-N-[2-(2-methoxyethoxy)ethyl]benzenesulfonamide has a molecular weight of 304.37 g/mol, XLogP of 0.22, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-[2-(2-methoxyethoxy)ethyl]benzenesulfonamide is sourced from PubChem (CID 81437876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).