3-amino-4-fluoro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide

C10H15FN2O3S — CID 65104000

IUPAC3-amino-4-fluoro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide
SMILESCC(C)(O)CNS(=O)(=O)c1ccc(F)c(N)c1
InChIInChI=1S/C10H15FN2O3S/c1-10(2,14)6-13-17(15,16)7-3-4-8(11)9(12)5-7/h3-5,13-14H,6,12H2,1-2H3
InChIKeyUXWLQBNYHHFMII-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.46
Rot. Bonds4

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

3-amino-4-fluoro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide (PubChem CID 65104000) has the molecular formula C10H15FN2O3S and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-amino-4-fluoro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-fluoro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide
PubChem CID65104000
Molecular FormulaC10H15FN2O3S
Molecular Weight262.31 g/mol
Exact Mass262.08
IUPAC Name3-amino-4-fluoro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide
SMILESCC(C)(O)CNS(=O)(=O)c1ccc(F)c(N)c1
InChIInChI=1S/C10H15FN2O3S/c1-10(2,14)6-13-17(15,16)7-3-4-8(11)9(12)5-7/h3-5,13-14H,6,12H2,1-2H3
InChIKeyUXWLQBNYHHFMII-UHFFFAOYSA-N
XLogP0.46
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 ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2,4-difluoro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide
CID 65103582
4-amino-N-(2-ethyl-2-hydroxybutyl)-3-fluorobenzenesulfonamide
CID 82843587
3-amino-4-fluoro-N-(3-methylsulfonylpropyl)benzenesulfonamide
CID 61126580
3-amino-4-fluoro-N-(4-hydroxypentyl)benzenesulfonamide
CID 114145999
3-amino-4-fluoro-N-(4-hydroxy-2-methylbutyl)benzenesulfonamide
CID 66091028
3-bromo-4-chloro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide
CID 106546244
3-amino-N-benzyl-4-fluorobenzenesulfonamide
CID 29272366
4-chloro-N-(2-hydroxy-2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide
CID 65113160
3-amino-4-fluoro-N-(3-methylsulfanylpropyl)benzenesulfonamide
CID 63981154
3-amino-N-(2,2-dimethylpropyl)-4-ethylbenzenesulfonamide
CID 61168643
3-amino-4-fluoro-N-[(1-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 65103398
3,4-difluoro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzenesulfonamide
CID 90501120

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-fluoro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide?
The IUPAC name of 3-amino-4-fluoro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide (CID 65104000) is 3-amino-4-fluoro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-4-fluoro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide?
The canonical SMILES for 3-amino-4-fluoro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide is CC(C)(O)CNS(=O)(=O)c1ccc(F)c(N)c1.
What is the InChIKey of 3-amino-4-fluoro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide?
The InChIKey is UXWLQBNYHHFMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O3S/c1-10(2,14)6-13-17(15,16)7-3-4-8(11)9(12)5-7/h3-5,13-14H,6,12H2,1-2H3.
What are the key properties of 3-amino-4-fluoro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide?
3-amino-4-fluoro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide has a molecular weight of 262.31 g/mol, XLogP of 0.46, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-fluoro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 65104000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).