4-amino-3-(2-ethoxyethoxy)benzenesulfonamide

C10H16N2O4S — CID 82900278

IUPAC4-amino-3-(2-ethoxyethoxy)benzenesulfonamide
SMILESCCOCCOc1cc(S(N)(=O)=O)ccc1N
InChIInChI=1S/C10H16N2O4S/c1-2-15-5-6-16-10-7-8(17(12,13)14)3-4-9(10)11/h3-4,7H,2,5-6,11H2,1H3,(H2,12,13,14)
InChIKeyFITDMOJGPDAZDR-UHFFFAOYSA-N
MW260.31 g/mol
LogP0.33
Rot. Bonds6

About 4-amino-3-(2-ethoxyethoxy)benzenesulfonamide

4-amino-3-(2-ethoxyethoxy)benzenesulfonamide (PubChem CID 82900278) has the molecular formula C10H16N2O4S and a molecular weight of 260.31 g/mol. Its IUPAC name is 4-amino-3-(2-ethoxyethoxy)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-(2-ethoxyethoxy)benzenesulfonamide
PubChem CID82900278
Molecular FormulaC10H16N2O4S
Molecular Weight260.31 g/mol
Exact Mass260.08
IUPAC Name4-amino-3-(2-ethoxyethoxy)benzenesulfonamide
SMILESCCOCCOc1cc(S(N)(=O)=O)ccc1N
InChIInChI=1S/C10H16N2O4S/c1-2-15-5-6-16-10-7-8(17(12,13)14)3-4-9(10)11/h3-4,7H,2,5-6,11H2,1H3,(H2,12,13,14)
InChIKeyFITDMOJGPDAZDR-UHFFFAOYSA-N
XLogP0.33
TPSA104.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(2-propoxyethoxy)benzenesulfonamide
CID 82898491
4-amino-3-hexoxybenzenesulfonamide
CID 82898886
4-amino-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzenesulfonamide
CID 112587096
4-(2-ethoxyethoxy)-3-fluorobenzenesulfonamide
CID 43457341
4-amino-3-[2-[di(propan-2-yl)amino]ethoxy]benzenesulfonamide
CID 82898329
2-[2-(2-ethoxyethoxy)ethoxy]-4-nitroaniline
CID 70584050
4-bromo-2-(2-ethoxyethoxy)aniline
CID 65342534
4-chloro-2-(2-ethoxyethoxy)aniline
CID 62306206
3-amino-4-(2-ethoxyethoxy)-N,N-dimethylbenzenesulfonamide
CID 43341134
4-amino-N-ethyl-3-(2-propoxyethoxy)benzenesulfonamide
CID 82900824
4-ethylsulfonyl-2-propoxyaniline
CID 63670906
2-(2-ethoxyethoxy)-5-methylbenzenesulfonamide
CID 43457343

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(2-ethoxyethoxy)benzenesulfonamide?
The IUPAC name of 4-amino-3-(2-ethoxyethoxy)benzenesulfonamide (CID 82900278) is 4-amino-3-(2-ethoxyethoxy)benzenesulfonamide.
What is the SMILES notation for 4-amino-3-(2-ethoxyethoxy)benzenesulfonamide?
The canonical SMILES for 4-amino-3-(2-ethoxyethoxy)benzenesulfonamide is CCOCCOc1cc(S(N)(=O)=O)ccc1N.
What is the InChIKey of 4-amino-3-(2-ethoxyethoxy)benzenesulfonamide?
The InChIKey is FITDMOJGPDAZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4S/c1-2-15-5-6-16-10-7-8(17(12,13)14)3-4-9(10)11/h3-4,7H,2,5-6,11H2,1H3,(H2,12,13,14).
What are the key properties of 4-amino-3-(2-ethoxyethoxy)benzenesulfonamide?
4-amino-3-(2-ethoxyethoxy)benzenesulfonamide has a molecular weight of 260.31 g/mol, XLogP of 0.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(2-ethoxyethoxy)benzenesulfonamide is sourced from PubChem (CID 82900278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).