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

C11H18N2O4S — CID 82898491

IUPAC4-amino-3-(2-propoxyethoxy)benzenesulfonamide
SMILESCCCOCCOc1cc(S(N)(=O)=O)ccc1N
InChIInChI=1S/C11H18N2O4S/c1-2-5-16-6-7-17-11-8-9(18(13,14)15)3-4-10(11)12/h3-4,8H,2,5-7,12H2,1H3,(H2,13,14,15)
InChIKeySUUQZBPKMZXUQM-UHFFFAOYSA-N
MW274.34 g/mol
LogP0.72
Rot. Bonds7

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

4-amino-3-(2-propoxyethoxy)benzenesulfonamide (PubChem CID 82898491) has the molecular formula C11H18N2O4S and a molecular weight of 274.34 g/mol. Its IUPAC name is 4-amino-3-(2-propoxyethoxy)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-(2-propoxyethoxy)benzenesulfonamide
PubChem CID82898491
Molecular FormulaC11H18N2O4S
Molecular Weight274.34 g/mol
Exact Mass274.10
IUPAC Name4-amino-3-(2-propoxyethoxy)benzenesulfonamide
SMILESCCCOCCOc1cc(S(N)(=O)=O)ccc1N
InChIInChI=1S/C11H18N2O4S/c1-2-5-16-6-7-17-11-8-9(18(13,14)15)3-4-10(11)12/h3-4,8H,2,5-7,12H2,1H3,(H2,13,14,15)
InChIKeySUUQZBPKMZXUQM-UHFFFAOYSA-N
XLogP0.72
TPSA104.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 50.72
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-ethoxyethoxy)benzenesulfonamide
CID 82900278
4-amino-3-hexoxybenzenesulfonamide
CID 82898886
4-amino-N-ethyl-3-(2-propoxyethoxy)benzenesulfonamide
CID 82900824
4-amino-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzenesulfonamide
CID 112587096
4-ethylsulfonyl-2-propoxyaniline
CID 63670906
4-methyl-2-(2-propoxyethoxy)aniline
CID 26189548
4-amino-3-[2-[di(propan-2-yl)amino]ethoxy]benzenesulfonamide
CID 82898329
4-fluoro-2-(2-propoxyethoxy)aniline
CID 63684494
6-(2-propoxyethoxy)pyridine-3-sulfonamide
CID 112572750
3-amino-N-methyl-4-(2-propoxyethoxy)benzenesulfonamide
CID 55234253
4-(2-ethoxyethoxy)-3-fluorobenzenesulfonamide
CID 43457341
4-amino-3-heptoxy-N,N-dimethylbenzenesulfonamide
CID 82902494

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(2-propoxyethoxy)benzenesulfonamide?
The IUPAC name of 4-amino-3-(2-propoxyethoxy)benzenesulfonamide (CID 82898491) is 4-amino-3-(2-propoxyethoxy)benzenesulfonamide.
What is the SMILES notation for 4-amino-3-(2-propoxyethoxy)benzenesulfonamide?
The canonical SMILES for 4-amino-3-(2-propoxyethoxy)benzenesulfonamide is CCCOCCOc1cc(S(N)(=O)=O)ccc1N.
What is the InChIKey of 4-amino-3-(2-propoxyethoxy)benzenesulfonamide?
The InChIKey is SUUQZBPKMZXUQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4S/c1-2-5-16-6-7-17-11-8-9(18(13,14)15)3-4-10(11)12/h3-4,8H,2,5-7,12H2,1H3,(H2,13,14,15).
What are the key properties of 4-amino-3-(2-propoxyethoxy)benzenesulfonamide?
4-amino-3-(2-propoxyethoxy)benzenesulfonamide has a molecular weight of 274.34 g/mol, XLogP of 0.72, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(2-propoxyethoxy)benzenesulfonamide is sourced from PubChem (CID 82898491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).