3-amino-5-(2-fluoro-2-methylpropoxy)benzenesulfonamide

C10H15FN2O3S — CID 134588343

IUPAC3-amino-5-(2-fluoro-2-methylpropoxy)benzenesulfonamide
SMILESCC(C)(F)COc1cc(N)cc(S(N)(=O)=O)c1
InChIInChI=1S/C10H15FN2O3S/c1-10(2,11)6-16-8-3-7(12)4-9(5-8)17(13,14)15/h3-5H,6,12H2,1-2H3,(H2,13,14,15)
InChIKeyGMXNQDXRFSMSQD-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.04
Rot. Bonds4

About 3-amino-5-(2-fluoro-2-methylpropoxy)benzenesulfonamide

3-amino-5-(2-fluoro-2-methylpropoxy)benzenesulfonamide (PubChem CID 134588343) has the molecular formula C10H15FN2O3S and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-amino-5-(2-fluoro-2-methylpropoxy)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-(2-fluoro-2-methylpropoxy)benzenesulfonamide
PubChem CID134588343
Molecular FormulaC10H15FN2O3S
Molecular Weight262.31 g/mol
Exact Mass262.08
IUPAC Name3-amino-5-(2-fluoro-2-methylpropoxy)benzenesulfonamide
SMILESCC(C)(F)COc1cc(N)cc(S(N)(=O)=O)c1
InChIInChI=1S/C10H15FN2O3S/c1-10(2,11)6-16-8-3-7(12)4-9(5-8)17(13,14)15/h3-5H,6,12H2,1-2H3,(H2,13,14,15)
InChIKeyGMXNQDXRFSMSQD-UHFFFAOYSA-N
XLogP1.04
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(2-fluoro-2-methylpropoxy)benzenesulfonamide?
The IUPAC name of 3-amino-5-(2-fluoro-2-methylpropoxy)benzenesulfonamide (CID 134588343) is 3-amino-5-(2-fluoro-2-methylpropoxy)benzenesulfonamide.
What is the SMILES notation for 3-amino-5-(2-fluoro-2-methylpropoxy)benzenesulfonamide?
The canonical SMILES for 3-amino-5-(2-fluoro-2-methylpropoxy)benzenesulfonamide is CC(C)(F)COc1cc(N)cc(S(N)(=O)=O)c1.
What is the InChIKey of 3-amino-5-(2-fluoro-2-methylpropoxy)benzenesulfonamide?
The InChIKey is GMXNQDXRFSMSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O3S/c1-10(2,11)6-16-8-3-7(12)4-9(5-8)17(13,14)15/h3-5H,6,12H2,1-2H3,(H2,13,14,15).
What are the key properties of 3-amino-5-(2-fluoro-2-methylpropoxy)benzenesulfonamide?
3-amino-5-(2-fluoro-2-methylpropoxy)benzenesulfonamide has a molecular weight of 262.31 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(2-fluoro-2-methylpropoxy)benzenesulfonamide is sourced from PubChem (CID 134588343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).