5-amino-2-fluoro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide

C10H15FN2O3S — CID 93081189

IUPAC5-amino-2-fluoro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide
SMILESCC[C@@H](CO)NS(=O)(=O)c1cc(N)ccc1F
InChIInChI=1S/C10H15FN2O3S/c1-2-8(6-14)13-17(15,16)10-5-7(12)3-4-9(10)11/h3-5,8,13-14H,2,6,12H2,1H3/t8-/m0/s1
InChIKeyCHMXBOGMRSKCHZ-QMMMGPOBSA-N
MW262.31 g/mol
LogP0.46
Rot. Bonds5

About 5-amino-2-fluoro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide

5-amino-2-fluoro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide (PubChem CID 93081189) has the molecular formula C10H15FN2O3S and a molecular weight of 262.31 g/mol. Its IUPAC name is 5-amino-2-fluoro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-fluoro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide
PubChem CID93081189
Molecular FormulaC10H15FN2O3S
Molecular Weight262.31 g/mol
Exact Mass262.08
IUPAC Name5-amino-2-fluoro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide
SMILESCC[C@@H](CO)NS(=O)(=O)c1cc(N)ccc1F
InChIInChI=1S/C10H15FN2O3S/c1-2-8(6-14)13-17(15,16)10-5-7(12)3-4-9(10)11/h3-5,8,13-14H,2,6,12H2,1H3/t8-/m0/s1
InChIKeyCHMXBOGMRSKCHZ-QMMMGPOBSA-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

5-amino-2-ethyl-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 93081188
5-amino-N-butan-2-yl-2-fluorobenzenesulfonamide
CID 43255365
4-amino-2-(1-hydroxybutan-2-ylsulfamoyl)benzoic acid
CID 102930934
2-fluoro-N-[(2R)-1-hydroxybutan-2-yl]-5-methylsulfonylbenzenesulfonamide
CID 104868981
5-amino-2-fluoro-N-[(2S)-1-hydroxybutan-2-yl]-4-methylbenzenesulfonamide
CID 107213678
5-amino-2-fluoro-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 54949598
4-amino-N-[(2S)-1-hydroxybutan-2-yl]-2-methoxybenzenesulfonamide
CID 93081165
4-amino-N-[(2R)-1-hydroxybutan-2-yl]-2-methoxybenzenesulfonamide
CID 93081166
2-amino-4-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 93081228
5-amino-N-[(2R)-1-hydroxybutan-2-yl]-2,3-dimethylbenzenesulfonamide
CID 93081202
5-amino-2-chloro-4-fluoro-N-(1-hydroxybutan-2-yl)benzenesulfonamide
CID 61112854
5-amino-2-ethyl-N-pentan-3-ylbenzenesulfonamide
CID 43255687

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-fluoro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide?
The IUPAC name of 5-amino-2-fluoro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide (CID 93081189) is 5-amino-2-fluoro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide.
What is the SMILES notation for 5-amino-2-fluoro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide?
The canonical SMILES for 5-amino-2-fluoro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide is CC[C@@H](CO)NS(=O)(=O)c1cc(N)ccc1F.
What is the InChIKey of 5-amino-2-fluoro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide?
The InChIKey is CHMXBOGMRSKCHZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H15FN2O3S/c1-2-8(6-14)13-17(15,16)10-5-7(12)3-4-9(10)11/h3-5,8,13-14H,2,6,12H2,1H3/t8-/m0/s1.
What are the key properties of 5-amino-2-fluoro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide?
5-amino-2-fluoro-N-[(2S)-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 5-amino-2-fluoro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide is sourced from PubChem (CID 93081189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).