4-(2-fluoro-2-methylpropyl)sulfonylaniline

C10H14FNO2S — CID 84694579

IUPAC4-(2-fluoro-2-methylpropyl)sulfonylaniline
SMILESCC(C)(F)CS(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C10H14FNO2S/c1-10(2,11)7-15(13,14)9-5-3-8(12)4-6-9/h3-6H,7,12H2,1-2H3
InChIKeyINASMRFOENKZLT-UHFFFAOYSA-N
MW231.29 g/mol
LogP1.79
Rot. Bonds3

About 4-(2-fluoro-2-methylpropyl)sulfonylaniline

4-(2-fluoro-2-methylpropyl)sulfonylaniline (PubChem CID 84694579) has the molecular formula C10H14FNO2S and a molecular weight of 231.29 g/mol. Its IUPAC name is 4-(2-fluoro-2-methylpropyl)sulfonylaniline.

Molecular Properties

Compound Name4-(2-fluoro-2-methylpropyl)sulfonylaniline
PubChem CID84694579
Molecular FormulaC10H14FNO2S
Molecular Weight231.29 g/mol
Exact Mass231.07
IUPAC Name4-(2-fluoro-2-methylpropyl)sulfonylaniline
SMILESCC(C)(F)CS(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C10H14FNO2S/c1-10(2,11)7-15(13,14)9-5-3-8(12)4-6-9/h3-6H,7,12H2,1-2H3
InChIKeyINASMRFOENKZLT-UHFFFAOYSA-N
XLogP1.79
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(2,2-difluoropropyl)benzenesulfonamide
CID 71579055
4-(chloromethylsulfonyl)aniline
CID 12707626
4-(2-methylbutylsulfonyl)aniline
CID 62105526
4-[(4-aminophenyl)sulfonylmethyl]aniline
CID 571742
4-aminobenzenesulfonamide;fluoromethane
CID 159574204
4-(2-amino-2-methylpropyl)sulfonylphenol
CID 115037318
2-(4-aminophenyl)sulfonyl-N-(2,2,2-trifluoroethyl)acetamide
CID 61492492
4-amino-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 4962703
4-(3-amino-2,2-dimethylpropyl)sulfonylphenol
CID 115045071
3-(4-ethylphenyl)sulfonyl-2,2-dimethylpropan-1-amine
CID 116853143
4-[2-(ethylamino)ethylsulfonyl]aniline
CID 154432818
4-(2-ethoxyethylsulfonyl)aniline
CID 61368221

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-2-methylpropyl)sulfonylaniline?
The IUPAC name of 4-(2-fluoro-2-methylpropyl)sulfonylaniline (CID 84694579) is 4-(2-fluoro-2-methylpropyl)sulfonylaniline.
What is the SMILES notation for 4-(2-fluoro-2-methylpropyl)sulfonylaniline?
The canonical SMILES for 4-(2-fluoro-2-methylpropyl)sulfonylaniline is CC(C)(F)CS(=O)(=O)c1ccc(N)cc1.
What is the InChIKey of 4-(2-fluoro-2-methylpropyl)sulfonylaniline?
The InChIKey is INASMRFOENKZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO2S/c1-10(2,11)7-15(13,14)9-5-3-8(12)4-6-9/h3-6H,7,12H2,1-2H3.
What are the key properties of 4-(2-fluoro-2-methylpropyl)sulfonylaniline?
4-(2-fluoro-2-methylpropyl)sulfonylaniline has a molecular weight of 231.29 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-2-methylpropyl)sulfonylaniline is sourced from PubChem (CID 84694579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).