4-bromo-2-fluoro-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide

C9H11BrFNO3S — CID 53240186

IUPAC4-bromo-2-fluoro-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide
SMILESC[C@H](CO)NS(=O)(=O)c1ccc(Br)cc1F
InChIInChI=1S/C9H11BrFNO3S/c1-6(5-13)12-16(14,15)9-3-2-7(10)4-8(9)11/h2-4,6,12-13H,5H2,1H3/t6-/m1/s1
InChIKeyYDMQUXZAOJTNOO-ZCFIWIBFSA-N
MW312.16 g/mol
LogP1.25
Rot. Bonds4

About 4-bromo-2-fluoro-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide

4-bromo-2-fluoro-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide (PubChem CID 53240186) has the molecular formula C9H11BrFNO3S and a molecular weight of 312.16 g/mol. Its IUPAC name is 4-bromo-2-fluoro-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2-fluoro-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide
PubChem CID53240186
Molecular FormulaC9H11BrFNO3S
Molecular Weight312.16 g/mol
Exact Mass310.96
IUPAC Name4-bromo-2-fluoro-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide
SMILESC[C@H](CO)NS(=O)(=O)c1ccc(Br)cc1F
InChIInChI=1S/C9H11BrFNO3S/c1-6(5-13)12-16(14,15)9-3-2-7(10)4-8(9)11/h2-4,6,12-13H,5H2,1H3/t6-/m1/s1
InChIKeyYDMQUXZAOJTNOO-ZCFIWIBFSA-N
XLogP1.25
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.16
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide?
The IUPAC name of 4-bromo-2-fluoro-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide (CID 53240186) is 4-bromo-2-fluoro-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-2-fluoro-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide?
The canonical SMILES for 4-bromo-2-fluoro-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide is C[C@H](CO)NS(=O)(=O)c1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-2-fluoro-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide?
The InChIKey is YDMQUXZAOJTNOO-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H11BrFNO3S/c1-6(5-13)12-16(14,15)9-3-2-7(10)4-8(9)11/h2-4,6,12-13H,5H2,1H3/t6-/m1/s1.
What are the key properties of 4-bromo-2-fluoro-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide?
4-bromo-2-fluoro-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide has a molecular weight of 312.16 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide is sourced from PubChem (CID 53240186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).