5-bromo-2-fluoro-N-(2-hydroxybutyl)benzenesulfonamide

C10H13BrFNO3S — CID 135124494

IUPAC5-bromo-2-fluoro-N-(2-hydroxybutyl)benzenesulfonamide
SMILESCCC(O)CNS(=O)(=O)c1cc(Br)ccc1F
InChIInChI=1S/C10H13BrFNO3S/c1-2-8(14)6-13-17(15,16)10-5-7(11)3-4-9(10)12/h3-5,8,13-14H,2,6H2,1H3
InChIKeyAVINFOOLZPVORY-UHFFFAOYSA-N
MW326.19 g/mol
LogP1.64
Rot. Bonds5

About 5-bromo-2-fluoro-N-(2-hydroxybutyl)benzenesulfonamide

5-bromo-2-fluoro-N-(2-hydroxybutyl)benzenesulfonamide (PubChem CID 135124494) has the molecular formula C10H13BrFNO3S and a molecular weight of 326.19 g/mol. Its IUPAC name is 5-bromo-2-fluoro-N-(2-hydroxybutyl)benzenesulfonamide.

Molecular Properties

Compound Name5-bromo-2-fluoro-N-(2-hydroxybutyl)benzenesulfonamide
PubChem CID135124494
Molecular FormulaC10H13BrFNO3S
Molecular Weight326.19 g/mol
Exact Mass324.98
IUPAC Name5-bromo-2-fluoro-N-(2-hydroxybutyl)benzenesulfonamide
SMILESCCC(O)CNS(=O)(=O)c1cc(Br)ccc1F
InChIInChI=1S/C10H13BrFNO3S/c1-2-8(14)6-13-17(15,16)10-5-7(11)3-4-9(10)12/h3-5,8,13-14H,2,6H2,1H3
InChIKeyAVINFOOLZPVORY-UHFFFAOYSA-N
XLogP1.64
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.19
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzenesulfonamide
CID 44602071
4-bromo-2-fluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide
CID 45479955
4-bromo-2-fluoro-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide
CID 53240186
4-bromo-N-(2-hydroxyethyl)benzenesulfonamide
CID 458569
5-bromo-2-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzenesulfonamide
CID 71911226
2-bromo-5-fluoro-N-[(2S)-5-hydroxypentan-2-yl]benzenesulfonamide
CID 97239620
3-bromo-4-fluoro-N-[(2S)-1-methoxypropan-2-yl]benzenesulfonamide
CID 97580651
3-bromo-4-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]benzenesulfonamide
CID 132383434
3-bromo-2,4-difluoro-N-[(2S)-1-hydroxypropan-2-yl]-N-methylbenzenesulfonamide
CID 164636867
3-bromo-2,4-difluoro-N-[(2S)-1-hydroxypropan-2-yl]benzenesulfonamide
CID 164638772
4-Bromo-2-fluoro-N-(4-hydroxybutyl)benzene-1-sulfonamide
CID 16094727
4-Bromo-3-fluoro-N-(4-hydroxybutyl)benzene-1-sulfonamide
CID 16094728

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-N-(2-hydroxybutyl)benzenesulfonamide?
The IUPAC name of 5-bromo-2-fluoro-N-(2-hydroxybutyl)benzenesulfonamide (CID 135124494) is 5-bromo-2-fluoro-N-(2-hydroxybutyl)benzenesulfonamide.
What is the SMILES notation for 5-bromo-2-fluoro-N-(2-hydroxybutyl)benzenesulfonamide?
The canonical SMILES for 5-bromo-2-fluoro-N-(2-hydroxybutyl)benzenesulfonamide is CCC(O)CNS(=O)(=O)c1cc(Br)ccc1F.
What is the InChIKey of 5-bromo-2-fluoro-N-(2-hydroxybutyl)benzenesulfonamide?
The InChIKey is AVINFOOLZPVORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrFNO3S/c1-2-8(14)6-13-17(15,16)10-5-7(11)3-4-9(10)12/h3-5,8,13-14H,2,6H2,1H3.
What are the key properties of 5-bromo-2-fluoro-N-(2-hydroxybutyl)benzenesulfonamide?
5-bromo-2-fluoro-N-(2-hydroxybutyl)benzenesulfonamide has a molecular weight of 326.19 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-fluoro-N-(2-hydroxybutyl)benzenesulfonamide is sourced from PubChem (CID 135124494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).