2-amino-4-(2-methylbutan-2-yloxy)benzenesulfonamide

C11H18N2O3S — CID 79467435

IUPAC2-amino-4-(2-methylbutan-2-yloxy)benzenesulfonamide
SMILESCCC(C)(C)Oc1ccc(S(N)(=O)=O)c(N)c1
InChIInChI=1S/C11H18N2O3S/c1-4-11(2,3)16-8-5-6-10(9(12)7-8)17(13,14)15/h5-7H,4,12H2,1-3H3,(H2,13,14,15)
InChIKeyAOQJJYIERXSZBU-UHFFFAOYSA-N
MW258.34 g/mol
LogP1.48
Rot. Bonds4

About 2-amino-4-(2-methylbutan-2-yloxy)benzenesulfonamide

2-amino-4-(2-methylbutan-2-yloxy)benzenesulfonamide (PubChem CID 79467435) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is 2-amino-4-(2-methylbutan-2-yloxy)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-(2-methylbutan-2-yloxy)benzenesulfonamide
PubChem CID79467435
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC Name2-amino-4-(2-methylbutan-2-yloxy)benzenesulfonamide
SMILESCCC(C)(C)Oc1ccc(S(N)(=O)=O)c(N)c1
InChIInChI=1S/C11H18N2O3S/c1-4-11(2,3)16-8-5-6-10(9(12)7-8)17(13,14)15/h5-7H,4,12H2,1-3H3,(H2,13,14,15)
InChIKeyAOQJJYIERXSZBU-UHFFFAOYSA-N
XLogP1.48
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-4-(2-methylbutan-2-yloxy)aniline
CID 43436413
2-amino-4-pentan-2-yloxybenzenesulfonamide
CID 102980405
2-amino-4-(2-methylpentoxy)benzenesulfonamide
CID 103282924
2-amino-4-(2-methylbutan-2-ylamino)benzenesulfonamide
CID 79466680
2-amino-4-phenylmethoxybenzenesulfonamide
CID 79466915
2-amino-4-(3-methoxyphenoxy)benzenesulfonamide
CID 79467005
2-amino-4-(ethylamino)benzenesulfonamide
CID 79466329
2-amino-4-(2,3,6-trimethylphenoxy)benzenesulfonamide
CID 79467348
2-amino-4-[(2-hydroxy-2-methylbutyl)amino]benzenesulfonamide
CID 79466378
2-amino-4-(diethylamino)benzenesulfonamide
CID 79460140
2-amino-4-cyclopentyloxybenzenesulfonamide
CID 79466823
1-(2-methylbutan-2-yloxy)-4-[(2-methylpropan-2-yl)oxy]benzene
CID 167138182

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-methylbutan-2-yloxy)benzenesulfonamide?
The IUPAC name of 2-amino-4-(2-methylbutan-2-yloxy)benzenesulfonamide (CID 79467435) is 2-amino-4-(2-methylbutan-2-yloxy)benzenesulfonamide.
What is the SMILES notation for 2-amino-4-(2-methylbutan-2-yloxy)benzenesulfonamide?
The canonical SMILES for 2-amino-4-(2-methylbutan-2-yloxy)benzenesulfonamide is CCC(C)(C)Oc1ccc(S(N)(=O)=O)c(N)c1.
What is the InChIKey of 2-amino-4-(2-methylbutan-2-yloxy)benzenesulfonamide?
The InChIKey is AOQJJYIERXSZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-4-11(2,3)16-8-5-6-10(9(12)7-8)17(13,14)15/h5-7H,4,12H2,1-3H3,(H2,13,14,15).
What are the key properties of 2-amino-4-(2-methylbutan-2-yloxy)benzenesulfonamide?
2-amino-4-(2-methylbutan-2-yloxy)benzenesulfonamide has a molecular weight of 258.34 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-methylbutan-2-yloxy)benzenesulfonamide is sourced from PubChem (CID 79467435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).