2,6-dibromo-4-fluoro-N-[1-(2-hydroxyethyl)pyrazol-4-yl]benzenesulfonamide

C11H10Br2FN3O3S — CID 86878532

IUPAC2,6-dibromo-4-fluoro-N-[1-(2-hydroxyethyl)pyrazol-4-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1cnn(CCO)c1)c1c(Br)cc(F)cc1Br
InChIInChI=1S/C11H10Br2FN3O3S/c12-9-3-7(14)4-10(13)11(9)21(19,20)16-8-5-15-17(6-8)1-2-18/h3-6,16,18H,1-2H2
InChIKeyWSWMIACPCURZRW-UHFFFAOYSA-N
MW443.09 g/mol
LogP2.34
Rot. Bonds5

About 2,6-dibromo-4-fluoro-N-[1-(2-hydroxyethyl)pyrazol-4-yl]benzenesulfonamide

2,6-dibromo-4-fluoro-N-[1-(2-hydroxyethyl)pyrazol-4-yl]benzenesulfonamide (PubChem CID 86878532) has the molecular formula C11H10Br2FN3O3S and a molecular weight of 443.09 g/mol. Its IUPAC name is 2,6-dibromo-4-fluoro-N-[1-(2-hydroxyethyl)pyrazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,6-dibromo-4-fluoro-N-[1-(2-hydroxyethyl)pyrazol-4-yl]benzenesulfonamide
PubChem CID86878532
Molecular FormulaC11H10Br2FN3O3S
Molecular Weight443.09 g/mol
Exact Mass440.88
IUPAC Name2,6-dibromo-4-fluoro-N-[1-(2-hydroxyethyl)pyrazol-4-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1cnn(CCO)c1)c1c(Br)cc(F)cc1Br
InChIInChI=1S/C11H10Br2FN3O3S/c12-9-3-7(14)4-10(13)11(9)21(19,20)16-8-5-15-17(6-8)1-2-18/h3-6,16,18H,1-2H2
InChIKeyWSWMIACPCURZRW-UHFFFAOYSA-N
XLogP2.34
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.09
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-4-fluoro-N-[1-(2-hydroxyethyl)pyrazol-4-yl]benzenesulfonamide?
The IUPAC name of 2,6-dibromo-4-fluoro-N-[1-(2-hydroxyethyl)pyrazol-4-yl]benzenesulfonamide (CID 86878532) is 2,6-dibromo-4-fluoro-N-[1-(2-hydroxyethyl)pyrazol-4-yl]benzenesulfonamide.
What is the SMILES notation for 2,6-dibromo-4-fluoro-N-[1-(2-hydroxyethyl)pyrazol-4-yl]benzenesulfonamide?
The canonical SMILES for 2,6-dibromo-4-fluoro-N-[1-(2-hydroxyethyl)pyrazol-4-yl]benzenesulfonamide is O=S(=O)(Nc1cnn(CCO)c1)c1c(Br)cc(F)cc1Br.
What is the InChIKey of 2,6-dibromo-4-fluoro-N-[1-(2-hydroxyethyl)pyrazol-4-yl]benzenesulfonamide?
The InChIKey is WSWMIACPCURZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Br2FN3O3S/c12-9-3-7(14)4-10(13)11(9)21(19,20)16-8-5-15-17(6-8)1-2-18/h3-6,16,18H,1-2H2.
What are the key properties of 2,6-dibromo-4-fluoro-N-[1-(2-hydroxyethyl)pyrazol-4-yl]benzenesulfonamide?
2,6-dibromo-4-fluoro-N-[1-(2-hydroxyethyl)pyrazol-4-yl]benzenesulfonamide has a molecular weight of 443.09 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-4-fluoro-N-[1-(2-hydroxyethyl)pyrazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 86878532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).