3-amino-5-fluoro-N-(4-hydroxy-2-methylbutyl)benzenesulfonamide

C11H17FN2O3S — CID 66092430

IUPAC3-amino-5-fluoro-N-(4-hydroxy-2-methylbutyl)benzenesulfonamide
SMILESCC(CCO)CNS(=O)(=O)c1cc(N)cc(F)c1
InChIInChI=1S/C11H17FN2O3S/c1-8(2-3-15)7-14-18(16,17)11-5-9(12)4-10(13)6-11/h4-6,8,14-15H,2-3,7,13H2,1H3
InChIKeyIKEIEHQAWRFWSV-UHFFFAOYSA-N
MW276.33 g/mol
LogP0.70
Rot. Bonds6

About 3-amino-5-fluoro-N-(4-hydroxy-2-methylbutyl)benzenesulfonamide

3-amino-5-fluoro-N-(4-hydroxy-2-methylbutyl)benzenesulfonamide (PubChem CID 66092430) has the molecular formula C11H17FN2O3S and a molecular weight of 276.33 g/mol. Its IUPAC name is 3-amino-5-fluoro-N-(4-hydroxy-2-methylbutyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-fluoro-N-(4-hydroxy-2-methylbutyl)benzenesulfonamide
PubChem CID66092430
Molecular FormulaC11H17FN2O3S
Molecular Weight276.33 g/mol
Exact Mass276.09
IUPAC Name3-amino-5-fluoro-N-(4-hydroxy-2-methylbutyl)benzenesulfonamide
SMILESCC(CCO)CNS(=O)(=O)c1cc(N)cc(F)c1
InChIInChI=1S/C11H17FN2O3S/c1-8(2-3-15)7-14-18(16,17)11-5-9(12)4-10(13)6-11/h4-6,8,14-15H,2-3,7,13H2,1H3
InChIKeyIKEIEHQAWRFWSV-UHFFFAOYSA-N
XLogP0.70
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 50.70
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

3-amino-4-fluoro-N-(4-hydroxy-2-methylbutyl)benzenesulfonamide
CID 66091028
2-chloro-3-fluoro-5-[(4-hydroxy-2-methylbutyl)sulfamoyl]benzoic acid
CID 81450456
3-amino-5-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 104758401
3-amino-5-fluoro-N-[2-(2-hydroxyethoxy)ethyl]benzenesulfonamide
CID 63322367
ethyl 2-[(3-amino-5-fluorophenyl)sulfonylamino]acetate
CID 63321745
2-amino-5-bromo-4-fluoro-N-(4-hydroxy-2-methylbutyl)benzenesulfonamide
CID 106491894
3,5-difluoro-N-(3-hydroxybutyl)benzenesulfonamide
CID 64912060
3-amino-5-fluoro-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide
CID 106333327
3-amino-5-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide
CID 106434424
3-amino-5-fluoro-N-(4-propan-2-yloxybutyl)benzenesulfonamide
CID 106006576
3-amino-5-fluoro-N-(2-sulfamoylethyl)benzenesulfonamide
CID 63322264
3-amino-5-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 43255674

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-fluoro-N-(4-hydroxy-2-methylbutyl)benzenesulfonamide?
The IUPAC name of 3-amino-5-fluoro-N-(4-hydroxy-2-methylbutyl)benzenesulfonamide (CID 66092430) is 3-amino-5-fluoro-N-(4-hydroxy-2-methylbutyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-5-fluoro-N-(4-hydroxy-2-methylbutyl)benzenesulfonamide?
The canonical SMILES for 3-amino-5-fluoro-N-(4-hydroxy-2-methylbutyl)benzenesulfonamide is CC(CCO)CNS(=O)(=O)c1cc(N)cc(F)c1.
What is the InChIKey of 3-amino-5-fluoro-N-(4-hydroxy-2-methylbutyl)benzenesulfonamide?
The InChIKey is IKEIEHQAWRFWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O3S/c1-8(2-3-15)7-14-18(16,17)11-5-9(12)4-10(13)6-11/h4-6,8,14-15H,2-3,7,13H2,1H3.
What are the key properties of 3-amino-5-fluoro-N-(4-hydroxy-2-methylbutyl)benzenesulfonamide?
3-amino-5-fluoro-N-(4-hydroxy-2-methylbutyl)benzenesulfonamide has a molecular weight of 276.33 g/mol, XLogP of 0.70, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-fluoro-N-(4-hydroxy-2-methylbutyl)benzenesulfonamide is sourced from PubChem (CID 66092430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).