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

C10H14FNO3S — CID 104981948

IUPAC4-fluoro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide
SMILESCC[C@@H](CO)NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C10H14FNO3S/c1-2-9(7-13)12-16(14,15)10-5-3-8(11)4-6-10/h3-6,9,12-13H,2,7H2,1H3/t9-/m0/s1
InChIKeyABTROLMDJZNZPX-VIFPVBQESA-N
MW247.29 g/mol
LogP0.87
Rot. Bonds5

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

4-fluoro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide (PubChem CID 104981948) has the molecular formula C10H14FNO3S and a molecular weight of 247.29 g/mol. Its IUPAC name is 4-fluoro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide
PubChem CID104981948
Molecular FormulaC10H14FNO3S
Molecular Weight247.29 g/mol
Exact Mass247.07
IUPAC Name4-fluoro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide
SMILESCC[C@@H](CO)NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C10H14FNO3S/c1-2-9(7-13)12-16(14,15)10-5-3-8(11)4-6-10/h3-6,9,12-13H,2,7H2,1H3/t9-/m0/s1
InChIKeyABTROLMDJZNZPX-VIFPVBQESA-N
XLogP0.87
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 67276511
4-acetyl-N-(1-hydroxybutan-2-yl)benzenesulfonamide
CID 43501748
4-fluoro-N-[(2S)-1-hydroxybutan-2-yl]-2-methylbenzenesulfonamide
CID 93084017
N-[(2S)-1-hydroxybutan-2-yl]-4-(2-methylpropyl)benzenesulfonamide
CID 104981895
N-(1-hydroxybutan-2-yl)-4-propanoylbenzenesulfonamide
CID 82164437
2-amino-4-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 93081228
2-N,6-N-bis(1-hydroxybutan-2-yl)-9,10-dioxoanthracene-2,6-disulfonamide
CID 4568672
4-(cyanomethyl)-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 103918588
4-butoxy-N-(1-hydroxybutan-2-yl)benzenesulfonamide
CID 22711687
2-fluoro-N-[(2R)-1-hydroxybutan-2-yl]-5-methylsulfonylbenzenesulfonamide
CID 104868981
N-(1-hydroxybutan-2-yl)-4-(4-nitrophenyl)benzenesulfonamide
CID 110454194
4-(pentan-3-ylsulfamoyl)benzenesulfonyl fluoride
CID 114958116

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide (CID 104981948) is 4-fluoro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide is CC[C@@H](CO)NS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide?
The InChIKey is ABTROLMDJZNZPX-VIFPVBQESA-N. The full InChI is InChI=1S/C10H14FNO3S/c1-2-9(7-13)12-16(14,15)10-5-3-8(11)4-6-10/h3-6,9,12-13H,2,7H2,1H3/t9-/m0/s1.
What are the key properties of 4-fluoro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide?
4-fluoro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide has a molecular weight of 247.29 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide is sourced from PubChem (CID 104981948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).