4-amino-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzenesulfonamide

C12H20N2O4S — CID 112587096

IUPAC4-amino-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzenesulfonamide
SMILESCC(C)(C)OCCOc1cc(S(N)(=O)=O)ccc1N
InChIInChI=1S/C12H20N2O4S/c1-12(2,3)18-7-6-17-11-8-9(19(14,15)16)4-5-10(11)13/h4-5,8H,6-7,13H2,1-3H3,(H2,14,15,16)
InChIKeyBANJUNICNGUKAE-UHFFFAOYSA-N
MW288.37 g/mol
LogP1.11
Rot. Bonds5

About 4-amino-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzenesulfonamide

4-amino-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzenesulfonamide (PubChem CID 112587096) has the molecular formula C12H20N2O4S and a molecular weight of 288.37 g/mol. Its IUPAC name is 4-amino-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzenesulfonamide
PubChem CID112587096
Molecular FormulaC12H20N2O4S
Molecular Weight288.37 g/mol
Exact Mass288.11
IUPAC Name4-amino-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzenesulfonamide
SMILESCC(C)(C)OCCOc1cc(S(N)(=O)=O)ccc1N
InChIInChI=1S/C12H20N2O4S/c1-12(2,3)18-7-6-17-11-8-9(19(14,15)16)4-5-10(11)13/h4-5,8H,6-7,13H2,1-3H3,(H2,14,15,16)
InChIKeyBANJUNICNGUKAE-UHFFFAOYSA-N
XLogP1.11
TPSA104.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 51.11
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-(2-propoxyethoxy)benzenesulfonamide
CID 82898491
4-amino-3-hexoxybenzenesulfonamide
CID 82898886
4-amino-3-[2-[di(propan-2-yl)amino]ethoxy]benzenesulfonamide
CID 82898329
4-bromo-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]aniline
CID 112587064
methyl 4-amino-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzoate
CID 112588482
ethyl 4-amino-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzoate
CID 115942374
4-amino-N,N-dimethyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzamide
CID 115941779
5-bromo-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzenesulfonamide
CID 112590347
4-amino-N-ethyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzamide
CID 115941798
4-ethylsulfonyl-2-propoxyaniline
CID 63670906
3-chloro-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzenesulfonyl chloride
CID 112588511

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzenesulfonamide?
The IUPAC name of 4-amino-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzenesulfonamide (CID 112587096) is 4-amino-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzenesulfonamide.
What is the SMILES notation for 4-amino-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzenesulfonamide?
The canonical SMILES for 4-amino-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzenesulfonamide is CC(C)(C)OCCOc1cc(S(N)(=O)=O)ccc1N.
What is the InChIKey of 4-amino-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzenesulfonamide?
The InChIKey is BANJUNICNGUKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4S/c1-12(2,3)18-7-6-17-11-8-9(19(14,15)16)4-5-10(11)13/h4-5,8H,6-7,13H2,1-3H3,(H2,14,15,16).
What are the key properties of 4-amino-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzenesulfonamide?
4-amino-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzenesulfonamide has a molecular weight of 288.37 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzenesulfonamide is sourced from PubChem (CID 112587096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).