2-amino-4-pentan-2-yloxybenzenesulfonamide

C11H18N2O3S — CID 102980405

IUPAC2-amino-4-pentan-2-yloxybenzenesulfonamide
SMILESCCCC(C)Oc1ccc(S(N)(=O)=O)c(N)c1
InChIInChI=1S/C11H18N2O3S/c1-3-4-8(2)16-9-5-6-11(10(12)7-9)17(13,14)15/h5-8H,3-4,12H2,1-2H3,(H2,13,14,15)
InChIKeyMPLFFBMWAXRYQM-UHFFFAOYSA-N
MW258.34 g/mol
LogP1.48
Rot. Bonds5

About 2-amino-4-pentan-2-yloxybenzenesulfonamide

2-amino-4-pentan-2-yloxybenzenesulfonamide (PubChem CID 102980405) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is 2-amino-4-pentan-2-yloxybenzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-pentan-2-yloxybenzenesulfonamide
PubChem CID102980405
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC Name2-amino-4-pentan-2-yloxybenzenesulfonamide
SMILESCCCC(C)Oc1ccc(S(N)(=O)=O)c(N)c1
InChIInChI=1S/C11H18N2O3S/c1-3-4-8(2)16-9-5-6-11(10(12)7-9)17(13,14)15/h5-8H,3-4,12H2,1-2H3,(H2,13,14,15)
InChIKeyMPLFFBMWAXRYQM-UHFFFAOYSA-N
XLogP1.48
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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-amino-4-(2-methylpentoxy)benzenesulfonamide
CID 103282924
2-methyl-4-pentan-2-yloxyaniline
CID 102980398
2-amino-4-(2-methylbutan-2-yloxy)benzenesulfonamide
CID 79467435
2-amino-N-methyl-4-(4-methylpentan-2-yloxy)benzenesulfonamide
CID 80646385
2,5-dimethyl-4-pentan-2-yloxybenzenesulfonamide
CID 107896256
3-methyl-5-nitro-2-pentan-2-yloxybenzenesulfonamide
CID 107896275
ethyl 2-(3-amino-4-sulfamoylanilino)propanoate
CID 79466894
2-amino-4-(ethylamino)benzenesulfonamide
CID 79466329
3-tert-butyl-4-pentan-2-yloxybenzenesulfonamide
CID 114013779
2-hydroxy-5-octadecan-2-yloxybenzenesulfonic acid
CID 88705531
1-(2-chloro-4-pentan-2-yloxyphenyl)ethanamine
CID 102982374
(1S)-1-(2-fluoro-4-pentan-2-yloxyphenyl)ethanamine
CID 107891175

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-pentan-2-yloxybenzenesulfonamide?
The IUPAC name of 2-amino-4-pentan-2-yloxybenzenesulfonamide (CID 102980405) is 2-amino-4-pentan-2-yloxybenzenesulfonamide.
What is the SMILES notation for 2-amino-4-pentan-2-yloxybenzenesulfonamide?
The canonical SMILES for 2-amino-4-pentan-2-yloxybenzenesulfonamide is CCCC(C)Oc1ccc(S(N)(=O)=O)c(N)c1.
What is the InChIKey of 2-amino-4-pentan-2-yloxybenzenesulfonamide?
The InChIKey is MPLFFBMWAXRYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-3-4-8(2)16-9-5-6-11(10(12)7-9)17(13,14)15/h5-8H,3-4,12H2,1-2H3,(H2,13,14,15).
What are the key properties of 2-amino-4-pentan-2-yloxybenzenesulfonamide?
2-amino-4-pentan-2-yloxybenzenesulfonamide has a molecular weight of 258.34 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-pentan-2-yloxybenzenesulfonamide is sourced from PubChem (CID 102980405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).