2-amino-4-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide

C10H15FN2O3S — CID 93081228

IUPAC2-amino-4-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide
SMILESCC[C@H](CO)NS(=O)(=O)c1ccc(F)cc1N
InChIInChI=1S/C10H15FN2O3S/c1-2-8(6-14)13-17(15,16)10-4-3-7(11)5-9(10)12/h3-5,8,13-14H,2,6,12H2,1H3/t8-/m1/s1
InChIKeyJSIAOLBIIJNQAM-MRVPVSSYSA-N
MW262.31 g/mol
LogP0.46
Rot. Bonds5

About 2-amino-4-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide

2-amino-4-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide (PubChem CID 93081228) has the molecular formula C10H15FN2O3S and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-amino-4-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide
PubChem CID93081228
Molecular FormulaC10H15FN2O3S
Molecular Weight262.31 g/mol
Exact Mass262.08
IUPAC Name2-amino-4-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide
SMILESCC[C@H](CO)NS(=O)(=O)c1ccc(F)cc1N
InChIInChI=1S/C10H15FN2O3S/c1-2-8(6-14)13-17(15,16)10-4-3-7(11)5-9(10)12/h3-5,8,13-14H,2,6,12H2,1H3/t8-/m1/s1
InChIKeyJSIAOLBIIJNQAM-MRVPVSSYSA-N
XLogP0.46
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
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

2-amino-N-(1-hydroxybutan-2-yl)-4-methylbenzenesulfonamide
CID 43498596
4-fluoro-N-[(2S)-1-hydroxybutan-2-yl]-2-methylbenzenesulfonamide
CID 93084017
2-amino-N-[(2S)-1-hydroxybutan-2-yl]-4-methoxybenzenesulfonamide
CID 93081199
4-fluoro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 104981948
methyl 3-amino-4-[[(2S)-1-hydroxybutan-2-yl]sulfamoyl]benzoate
CID 107213661
5-amino-2-fluoro-N-[(2S)-1-hydroxybutan-2-yl]-4-methylbenzenesulfonamide
CID 107213678
5-amino-2-fluoro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 93081189
5-amino-2-chloro-4-fluoro-N-(1-hydroxybutan-2-yl)benzenesulfonamide
CID 61112854
2-[(2-amino-4-fluorophenyl)sulfonylamino]-N-ethylpropanamide
CID 43576306
5-amino-2-ethyl-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 93081188
4-amino-N-[(2R)-1-hydroxybutan-2-yl]-2-methoxybenzenesulfonamide
CID 93081166
2-amino-4-chloro-N-(1-hydroxypentan-3-yl)benzenesulfonamide
CID 113495486

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide?
The IUPAC name of 2-amino-4-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide (CID 93081228) is 2-amino-4-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide.
What is the SMILES notation for 2-amino-4-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide?
The canonical SMILES for 2-amino-4-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide is CC[C@H](CO)NS(=O)(=O)c1ccc(F)cc1N.
What is the InChIKey of 2-amino-4-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide?
The InChIKey is JSIAOLBIIJNQAM-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H15FN2O3S/c1-2-8(6-14)13-17(15,16)10-4-3-7(11)5-9(10)12/h3-5,8,13-14H,2,6,12H2,1H3/t8-/m1/s1.
What are the key properties of 2-amino-4-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide?
2-amino-4-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide has a molecular weight of 262.31 g/mol, XLogP of 0.46, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide is sourced from PubChem (CID 93081228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).