2-bromo-4,6-difluoro-N-(2-pyrazol-1-ylethyl)benzenesulfonamide

C11H10BrF2N3O2S — CID 61461737

IUPAC2-bromo-4,6-difluoro-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
SMILESO=S(=O)(NCCn1cccn1)c1c(F)cc(F)cc1Br
InChIInChI=1S/C11H10BrF2N3O2S/c12-9-6-8(13)7-10(14)11(9)20(18,19)16-3-5-17-4-1-2-15-17/h1-2,4,6-7,16H,3,5H2
InChIKeyWWMRQVSLDMMCDL-UHFFFAOYSA-N
MW366.19 g/mol
LogP1.90
Rot. Bonds5

About 2-bromo-4,6-difluoro-N-(2-pyrazol-1-ylethyl)benzenesulfonamide

2-bromo-4,6-difluoro-N-(2-pyrazol-1-ylethyl)benzenesulfonamide (PubChem CID 61461737) has the molecular formula C11H10BrF2N3O2S and a molecular weight of 366.19 g/mol. Its IUPAC name is 2-bromo-4,6-difluoro-N-(2-pyrazol-1-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-4,6-difluoro-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
PubChem CID61461737
Molecular FormulaC11H10BrF2N3O2S
Molecular Weight366.19 g/mol
Exact Mass364.96
IUPAC Name2-bromo-4,6-difluoro-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
SMILESO=S(=O)(NCCn1cccn1)c1c(F)cc(F)cc1Br
InChIInChI=1S/C11H10BrF2N3O2S/c12-9-6-8(13)7-10(14)11(9)20(18,19)16-3-5-17-4-1-2-15-17/h1-2,4,6-7,16H,3,5H2
InChIKeyWWMRQVSLDMMCDL-UHFFFAOYSA-N
XLogP1.90
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.19
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-4,6-difluoro-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide
CID 106326852
3-[(2-bromo-4,6-difluorophenyl)sulfonylamino]propanoic acid
CID 43091467
3-bromo-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 54951763
4-fluoro-2-methyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 110716621
2-amino-4-fluoro-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 61460076
4-methoxy-2,6-dimethyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 110716657
2-bromo-4,6-difluoro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 60643600
methyl 3-[(2-bromo-4,6-difluorophenyl)sulfonylamino]propanoate
CID 60639552
2-bromo-4,6-difluoro-N-[3-(propan-2-ylamino)propyl]benzenesulfonamide
CID 43606874
2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]ethyl carbamate
CID 83203648
4-bromo-3-(2-pyrazol-1-ylethylsulfamoyl)benzoic acid
CID 61463139
2-bromo-4,6-difluoro-N-(4-hydroxypentyl)benzenesulfonamide
CID 106125988

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4,6-difluoro-N-(2-pyrazol-1-ylethyl)benzenesulfonamide?
The IUPAC name of 2-bromo-4,6-difluoro-N-(2-pyrazol-1-ylethyl)benzenesulfonamide (CID 61461737) is 2-bromo-4,6-difluoro-N-(2-pyrazol-1-ylethyl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-4,6-difluoro-N-(2-pyrazol-1-ylethyl)benzenesulfonamide?
The canonical SMILES for 2-bromo-4,6-difluoro-N-(2-pyrazol-1-ylethyl)benzenesulfonamide is O=S(=O)(NCCn1cccn1)c1c(F)cc(F)cc1Br.
What is the InChIKey of 2-bromo-4,6-difluoro-N-(2-pyrazol-1-ylethyl)benzenesulfonamide?
The InChIKey is WWMRQVSLDMMCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrF2N3O2S/c12-9-6-8(13)7-10(14)11(9)20(18,19)16-3-5-17-4-1-2-15-17/h1-2,4,6-7,16H,3,5H2.
What are the key properties of 2-bromo-4,6-difluoro-N-(2-pyrazol-1-ylethyl)benzenesulfonamide?
2-bromo-4,6-difluoro-N-(2-pyrazol-1-ylethyl)benzenesulfonamide has a molecular weight of 366.19 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4,6-difluoro-N-(2-pyrazol-1-ylethyl)benzenesulfonamide is sourced from PubChem (CID 61461737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).