4-bromo-3-fluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide

C9H11BrFNO3S — CID 103836294

IUPAC4-bromo-3-fluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide
SMILESCC(CO)NS(=O)(=O)c1ccc(Br)c(F)c1
InChIInChI=1S/C9H11BrFNO3S/c1-6(5-13)12-16(14,15)7-2-3-8(10)9(11)4-7/h2-4,6,12-13H,5H2,1H3
InChIKeyUBCCOGHMWUOATE-UHFFFAOYSA-N
MW312.16 g/mol
LogP1.25
Rot. Bonds4

About 4-bromo-3-fluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide

4-bromo-3-fluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide (PubChem CID 103836294) has the molecular formula C9H11BrFNO3S and a molecular weight of 312.16 g/mol. Its IUPAC name is 4-bromo-3-fluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-3-fluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide
PubChem CID103836294
Molecular FormulaC9H11BrFNO3S
Molecular Weight312.16 g/mol
Exact Mass310.96
IUPAC Name4-bromo-3-fluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide
SMILESCC(CO)NS(=O)(=O)c1ccc(Br)c(F)c1
InChIInChI=1S/C9H11BrFNO3S/c1-6(5-13)12-16(14,15)7-2-3-8(10)9(11)4-7/h2-4,6,12-13H,5H2,1H3
InChIKeyUBCCOGHMWUOATE-UHFFFAOYSA-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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Related Compounds

4-bromo-3-fluoro-N-(4-methylpentan-2-yl)benzenesulfonamide
CID 107649944
3-amino-4-bromo-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide
CID 107212467
4-[(4-bromo-3-fluorophenyl)sulfonylamino]pentanoic acid
CID 104936319
3-bromo-4-chloro-N-(1-hydroxypropan-2-yl)benzenesulfonamide
CID 106546351
2-bromo-5-[[(2R)-1-hydroxypropan-2-yl]sulfamoyl]benzoic acid
CID 107215449
4-bromo-3-fluoro-N-pentan-3-ylbenzenesulfonamide
CID 103697155
4-bromo-3-fluoro-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 113242574
4-bromo-3-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzenesulfonamide
CID 103825685
2,4-difluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide
CID 43502106
3-[(4-bromo-3-fluorophenyl)sulfonylamino]-4-methylpentanoic acid
CID 104936328
4-bromo-3-fluoro-N-heptan-4-ylbenzenesulfonamide
CID 130254293
(2S)-2-[(4-bromo-3-fluorophenyl)sulfonylamino]butanoic acid
CID 104935577

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-fluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide?
The IUPAC name of 4-bromo-3-fluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide (CID 103836294) is 4-bromo-3-fluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-3-fluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-bromo-3-fluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide is CC(CO)NS(=O)(=O)c1ccc(Br)c(F)c1.
What is the InChIKey of 4-bromo-3-fluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide?
The InChIKey is UBCCOGHMWUOATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrFNO3S/c1-6(5-13)12-16(14,15)7-2-3-8(10)9(11)4-7/h2-4,6,12-13H,5H2,1H3.
What are the key properties of 4-bromo-3-fluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide?
4-bromo-3-fluoro-N-(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-3-fluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 103836294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).