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

C10H13BrFNO3S — CID 60823273

IUPAC2-bromo-4-fluoro-N-(1-hydroxybutan-2-yl)benzenesulfonamide
SMILESCCC(CO)NS(=O)(=O)c1ccc(F)cc1Br
InChIInChI=1S/C10H13BrFNO3S/c1-2-8(6-14)13-17(15,16)10-4-3-7(12)5-9(10)11/h3-5,8,13-14H,2,6H2,1H3
InChIKeyOQEXUFAXVOSHHK-UHFFFAOYSA-N
MW326.19 g/mol
LogP1.64
Rot. Bonds5

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

2-bromo-4-fluoro-N-(1-hydroxybutan-2-yl)benzenesulfonamide (PubChem CID 60823273) has the molecular formula C10H13BrFNO3S and a molecular weight of 326.19 g/mol. Its IUPAC name is 2-bromo-4-fluoro-N-(1-hydroxybutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-4-fluoro-N-(1-hydroxybutan-2-yl)benzenesulfonamide
PubChem CID60823273
Molecular FormulaC10H13BrFNO3S
Molecular Weight326.19 g/mol
Exact Mass324.98
IUPAC Name2-bromo-4-fluoro-N-(1-hydroxybutan-2-yl)benzenesulfonamide
SMILESCCC(CO)NS(=O)(=O)c1ccc(F)cc1Br
InChIInChI=1S/C10H13BrFNO3S/c1-2-8(6-14)13-17(15,16)10-4-3-7(12)5-9(10)11/h3-5,8,13-14H,2,6H2,1H3
InChIKeyOQEXUFAXVOSHHK-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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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-N-(1-hydroxybutan-2-yl)benzenesulfonamide?
The IUPAC name of 2-bromo-4-fluoro-N-(1-hydroxybutan-2-yl)benzenesulfonamide (CID 60823273) is 2-bromo-4-fluoro-N-(1-hydroxybutan-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-4-fluoro-N-(1-hydroxybutan-2-yl)benzenesulfonamide?
The canonical SMILES for 2-bromo-4-fluoro-N-(1-hydroxybutan-2-yl)benzenesulfonamide is CCC(CO)NS(=O)(=O)c1ccc(F)cc1Br.
What is the InChIKey of 2-bromo-4-fluoro-N-(1-hydroxybutan-2-yl)benzenesulfonamide?
The InChIKey is OQEXUFAXVOSHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrFNO3S/c1-2-8(6-14)13-17(15,16)10-4-3-7(12)5-9(10)11/h3-5,8,13-14H,2,6H2,1H3.
What are the key properties of 2-bromo-4-fluoro-N-(1-hydroxybutan-2-yl)benzenesulfonamide?
2-bromo-4-fluoro-N-(1-hydroxybutan-2-yl)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 2-bromo-4-fluoro-N-(1-hydroxybutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 60823273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).