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

C9H11BrFNO3S — CID 60823585

IUPAC2-bromo-4-fluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide
SMILESCC(CO)NS(=O)(=O)c1ccc(F)cc1Br
InChIInChI=1S/C9H11BrFNO3S/c1-6(5-13)12-16(14,15)9-3-2-7(11)4-8(9)10/h2-4,6,12-13H,5H2,1H3
InChIKeyJTDYFPBTTSLFHC-UHFFFAOYSA-N
MW312.16 g/mol
LogP1.25
Rot. Bonds4

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

2-bromo-4-fluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide (PubChem CID 60823585) has the molecular formula C9H11BrFNO3S and a molecular weight of 312.16 g/mol. Its IUPAC name is 2-bromo-4-fluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-4-fluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide
PubChem CID60823585
Molecular FormulaC9H11BrFNO3S
Molecular Weight312.16 g/mol
Exact Mass310.96
IUPAC Name2-bromo-4-fluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide
SMILESCC(CO)NS(=O)(=O)c1ccc(F)cc1Br
InChIInChI=1S/C9H11BrFNO3S/c1-6(5-13)12-16(14,15)9-3-2-7(11)4-8(9)10/h2-4,6,12-13H,5H2,1H3
InChIKeyJTDYFPBTTSLFHC-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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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide?
The IUPAC name of 2-bromo-4-fluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide (CID 60823585) is 2-bromo-4-fluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-4-fluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide?
The canonical SMILES for 2-bromo-4-fluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide is CC(CO)NS(=O)(=O)c1ccc(F)cc1Br.
What is the InChIKey of 2-bromo-4-fluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide?
The InChIKey is JTDYFPBTTSLFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrFNO3S/c1-6(5-13)12-16(14,15)9-3-2-7(11)4-8(9)10/h2-4,6,12-13H,5H2,1H3.
What are the key properties of 2-bromo-4-fluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide?
2-bromo-4-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 2-bromo-4-fluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 60823585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).