3-fluoro-4-[(2-hydroxy-2-methylpropyl)amino]benzenesulfonamide

C10H15FN2O3S — CID 65108713

IUPAC3-fluoro-4-[(2-hydroxy-2-methylpropyl)amino]benzenesulfonamide
SMILESCC(C)(O)CNc1ccc(S(N)(=O)=O)cc1F
InChIInChI=1S/C10H15FN2O3S/c1-10(2,14)6-13-9-4-3-7(5-8(9)11)17(12,15)16/h3-5,13-14H,6H2,1-2H3,(H2,12,15,16)
InChIKeyVZQNJDYPMXISAU-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.66
Rot. Bonds4

About 3-fluoro-4-[(2-hydroxy-2-methylpropyl)amino]benzenesulfonamide

3-fluoro-4-[(2-hydroxy-2-methylpropyl)amino]benzenesulfonamide (PubChem CID 65108713) has the molecular formula C10H15FN2O3S and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-fluoro-4-[(2-hydroxy-2-methylpropyl)amino]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-4-[(2-hydroxy-2-methylpropyl)amino]benzenesulfonamide
PubChem CID65108713
Molecular FormulaC10H15FN2O3S
Molecular Weight262.31 g/mol
Exact Mass262.08
IUPAC Name3-fluoro-4-[(2-hydroxy-2-methylpropyl)amino]benzenesulfonamide
SMILESCC(C)(O)CNc1ccc(S(N)(=O)=O)cc1F
InChIInChI=1S/C10H15FN2O3S/c1-10(2,14)6-13-9-4-3-7(5-8(9)11)17(12,15)16/h3-5,13-14H,6H2,1-2H3,(H2,12,15,16)
InChIKeyVZQNJDYPMXISAU-UHFFFAOYSA-N
XLogP0.66
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[(2-hydroxy-2-methylpropyl)amino]benzenesulfonamide?
The IUPAC name of 3-fluoro-4-[(2-hydroxy-2-methylpropyl)amino]benzenesulfonamide (CID 65108713) is 3-fluoro-4-[(2-hydroxy-2-methylpropyl)amino]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-4-[(2-hydroxy-2-methylpropyl)amino]benzenesulfonamide?
The canonical SMILES for 3-fluoro-4-[(2-hydroxy-2-methylpropyl)amino]benzenesulfonamide is CC(C)(O)CNc1ccc(S(N)(=O)=O)cc1F.
What is the InChIKey of 3-fluoro-4-[(2-hydroxy-2-methylpropyl)amino]benzenesulfonamide?
The InChIKey is VZQNJDYPMXISAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O3S/c1-10(2,14)6-13-9-4-3-7(5-8(9)11)17(12,15)16/h3-5,13-14H,6H2,1-2H3,(H2,12,15,16).
What are the key properties of 3-fluoro-4-[(2-hydroxy-2-methylpropyl)amino]benzenesulfonamide?
3-fluoro-4-[(2-hydroxy-2-methylpropyl)amino]benzenesulfonamide has a molecular weight of 262.31 g/mol, XLogP of 0.66, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[(2-hydroxy-2-methylpropyl)amino]benzenesulfonamide is sourced from PubChem (CID 65108713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).