4-bromo-2-fluoro-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide

C12H13BrFN3O2S — CID 58561188

IUPAC4-bromo-2-fluoro-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
SMILESCc1nn(C)c(C)c1NS(=O)(=O)c1ccc(Br)cc1F
InChIInChI=1S/C12H13BrFN3O2S/c1-7-12(8(2)17(3)15-7)16-20(18,19)11-5-4-9(13)6-10(11)14/h4-6,16H,1-3H3
InChIKeyLGQWPYLOBBSGDL-UHFFFAOYSA-N
MW362.22 g/mol
LogP2.74
Rot. Bonds3

About 4-bromo-2-fluoro-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide

4-bromo-2-fluoro-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide (PubChem CID 58561188) has the molecular formula C12H13BrFN3O2S and a molecular weight of 362.22 g/mol. Its IUPAC name is 4-bromo-2-fluoro-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2-fluoro-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
PubChem CID58561188
Molecular FormulaC12H13BrFN3O2S
Molecular Weight362.22 g/mol
Exact Mass360.99
IUPAC Name4-bromo-2-fluoro-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
SMILESCc1nn(C)c(C)c1NS(=O)(=O)c1ccc(Br)cc1F
InChIInChI=1S/C12H13BrFN3O2S/c1-7-12(8(2)17(3)15-7)16-20(18,19)11-5-4-9(13)6-10(11)14/h4-6,16H,1-3H3
InChIKeyLGQWPYLOBBSGDL-UHFFFAOYSA-N
XLogP2.74
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.22
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-difluoro-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 3775268
4-bromo-2-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 58561076
4-bromo-N-(2,6-dibromo-4-methylphenyl)-2-fluorobenzenesulfonamide
CID 116528134
4-bromo-N-(2,6-difluorophenyl)-2-fluorobenzenesulfonamide
CID 116528169
4-bromo-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 3716725
N-(4-bromo-2,6-difluorophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 65499921
4-bromo-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-fluorobenzenesulfonamide
CID 114389118
4-bromo-N-(2,5-difluoro-4-methylphenyl)-2-fluorobenzenesulfonamide
CID 103587129
N-[1-[(4-bromophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2,4-difluorobenzenesulfonamide
CID 22202918
5-amino-2-bromo-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 65207200
4-bromo-2-fluoro-N-(6-methyl-3-pyridinyl)benzenesulfonamide
CID 116528754
4-bromo-2-fluoro-N-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 116527795

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The IUPAC name of 4-bromo-2-fluoro-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide (CID 58561188) is 4-bromo-2-fluoro-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2-fluoro-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2-fluoro-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide is Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-2-fluoro-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The InChIKey is LGQWPYLOBBSGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrFN3O2S/c1-7-12(8(2)17(3)15-7)16-20(18,19)11-5-4-9(13)6-10(11)14/h4-6,16H,1-3H3.
What are the key properties of 4-bromo-2-fluoro-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
4-bromo-2-fluoro-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide has a molecular weight of 362.22 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 58561188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).