2-bromo-5-fluoro-N-[(2S)-5-hydroxypentan-2-yl]benzenesulfonamide

C11H15BrFNO3S — CID 97239620

IUPAC2-bromo-5-fluoro-N-[(2S)-5-hydroxypentan-2-yl]benzenesulfonamide
SMILESC[C@@H](CCCO)NS(=O)(=O)c1cc(F)ccc1Br
InChIInChI=1S/C11H15BrFNO3S/c1-8(3-2-6-15)14-18(16,17)11-7-9(13)4-5-10(11)12/h4-5,7-8,14-15H,2-3,6H2,1H3/t8-/m0/s1
InChIKeyUUQOZVLJUUNTIZ-QMMMGPOBSA-N
MW340.21 g/mol
LogP2.03
Rot. Bonds6

About 2-bromo-5-fluoro-N-[(2S)-5-hydroxypentan-2-yl]benzenesulfonamide

2-bromo-5-fluoro-N-[(2S)-5-hydroxypentan-2-yl]benzenesulfonamide (PubChem CID 97239620) has the molecular formula C11H15BrFNO3S and a molecular weight of 340.21 g/mol. Its IUPAC name is 2-bromo-5-fluoro-N-[(2S)-5-hydroxypentan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-5-fluoro-N-[(2S)-5-hydroxypentan-2-yl]benzenesulfonamide
PubChem CID97239620
Molecular FormulaC11H15BrFNO3S
Molecular Weight340.21 g/mol
Exact Mass338.99
IUPAC Name2-bromo-5-fluoro-N-[(2S)-5-hydroxypentan-2-yl]benzenesulfonamide
SMILESC[C@@H](CCCO)NS(=O)(=O)c1cc(F)ccc1Br
InChIInChI=1S/C11H15BrFNO3S/c1-8(3-2-6-15)14-18(16,17)11-7-9(13)4-5-10(11)12/h4-5,7-8,14-15H,2-3,6H2,1H3/t8-/m0/s1
InChIKeyUUQOZVLJUUNTIZ-QMMMGPOBSA-N
XLogP2.03
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.21
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-fluoro-N-[(2S)-5-hydroxypentan-2-yl]benzenesulfonamide?
The IUPAC name of 2-bromo-5-fluoro-N-[(2S)-5-hydroxypentan-2-yl]benzenesulfonamide (CID 97239620) is 2-bromo-5-fluoro-N-[(2S)-5-hydroxypentan-2-yl]benzenesulfonamide.
What is the SMILES notation for 2-bromo-5-fluoro-N-[(2S)-5-hydroxypentan-2-yl]benzenesulfonamide?
The canonical SMILES for 2-bromo-5-fluoro-N-[(2S)-5-hydroxypentan-2-yl]benzenesulfonamide is C[C@@H](CCCO)NS(=O)(=O)c1cc(F)ccc1Br.
What is the InChIKey of 2-bromo-5-fluoro-N-[(2S)-5-hydroxypentan-2-yl]benzenesulfonamide?
The InChIKey is UUQOZVLJUUNTIZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H15BrFNO3S/c1-8(3-2-6-15)14-18(16,17)11-7-9(13)4-5-10(11)12/h4-5,7-8,14-15H,2-3,6H2,1H3/t8-/m0/s1.
What are the key properties of 2-bromo-5-fluoro-N-[(2S)-5-hydroxypentan-2-yl]benzenesulfonamide?
2-bromo-5-fluoro-N-[(2S)-5-hydroxypentan-2-yl]benzenesulfonamide has a molecular weight of 340.21 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-fluoro-N-[(2S)-5-hydroxypentan-2-yl]benzenesulfonamide is sourced from PubChem (CID 97239620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).