2-bromo-4,6-difluoro-N-(1H-pyrazol-5-yl)benzenesulfonamide

C9H6BrF2N3O2S — CID 61394148

IUPAC2-bromo-4,6-difluoro-N-(1H-pyrazol-5-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccn[nH]1)c1c(F)cc(F)cc1Br
InChIInChI=1S/C9H6BrF2N3O2S/c10-6-3-5(11)4-7(12)9(6)18(16,17)15-8-1-2-13-14-8/h1-4H,(H2,13,14,15)
InChIKeyNPFPRMBKOXLMFD-UHFFFAOYSA-N
MW338.13 g/mol
LogP2.25
Rot. Bonds3

About 2-bromo-4,6-difluoro-N-(1H-pyrazol-5-yl)benzenesulfonamide

2-bromo-4,6-difluoro-N-(1H-pyrazol-5-yl)benzenesulfonamide (PubChem CID 61394148) has the molecular formula C9H6BrF2N3O2S and a molecular weight of 338.13 g/mol. Its IUPAC name is 2-bromo-4,6-difluoro-N-(1H-pyrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-4,6-difluoro-N-(1H-pyrazol-5-yl)benzenesulfonamide
PubChem CID61394148
Molecular FormulaC9H6BrF2N3O2S
Molecular Weight338.13 g/mol
Exact Mass336.93
IUPAC Name2-bromo-4,6-difluoro-N-(1H-pyrazol-5-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccn[nH]1)c1c(F)cc(F)cc1Br
InChIInChI=1S/C9H6BrF2N3O2S/c10-6-3-5(11)4-7(12)9(6)18(16,17)15-8-1-2-13-14-8/h1-4H,(H2,13,14,15)
InChIKeyNPFPRMBKOXLMFD-UHFFFAOYSA-N
XLogP2.25
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.13
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-4,6-difluoro-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 113237176
4-bromo-2,6-dichloro-N-(1H-pyrazol-5-yl)benzenesulfonamide
CID 61394406
2-bromo-4,6-difluoro-N-(2-methyl-3-pyridinyl)benzenesulfonamide
CID 79044269
2-bromo-N-(2,5-dibromophenyl)-4,6-difluorobenzenesulfonamide
CID 63422484
2-bromo-N-(2,4-dibromophenyl)-4,6-difluorobenzenesulfonamide
CID 60640704
2-bromo-4,6-difluoro-N-(6-fluoro-3-pyridinyl)benzenesulfonamide
CID 103775763
2-bromo-N-(2-bromo-3-chlorophenyl)-4,6-difluorobenzenesulfonamide
CID 103481212
2-bromo-4,6-difluoro-N',N'-dimethylbenzenesulfonohydrazide
CID 83022882
N-(2,3,5-trifluorophenyl)-1H-pyrazole-5-sulfonamide
CID 102692960
4-amino-2,6-dichloro-N-(1H-pyrazol-5-yl)benzenesulfonamide
CID 61393048
2-bromo-N-(5-bromo-2-methylphenyl)-4,6-difluorobenzenesulfonamide
CID 60822685
2-bromo-4,6-difluoro-N-(2-methylphenyl)benzenesulfonamide
CID 26952261

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4,6-difluoro-N-(1H-pyrazol-5-yl)benzenesulfonamide?
The IUPAC name of 2-bromo-4,6-difluoro-N-(1H-pyrazol-5-yl)benzenesulfonamide (CID 61394148) is 2-bromo-4,6-difluoro-N-(1H-pyrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-4,6-difluoro-N-(1H-pyrazol-5-yl)benzenesulfonamide?
The canonical SMILES for 2-bromo-4,6-difluoro-N-(1H-pyrazol-5-yl)benzenesulfonamide is O=S(=O)(Nc1ccn[nH]1)c1c(F)cc(F)cc1Br.
What is the InChIKey of 2-bromo-4,6-difluoro-N-(1H-pyrazol-5-yl)benzenesulfonamide?
The InChIKey is NPFPRMBKOXLMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrF2N3O2S/c10-6-3-5(11)4-7(12)9(6)18(16,17)15-8-1-2-13-14-8/h1-4H,(H2,13,14,15).
What are the key properties of 2-bromo-4,6-difluoro-N-(1H-pyrazol-5-yl)benzenesulfonamide?
2-bromo-4,6-difluoro-N-(1H-pyrazol-5-yl)benzenesulfonamide has a molecular weight of 338.13 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4,6-difluoro-N-(1H-pyrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 61394148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).