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

C10H9BrFN3O2S — CID 47257501

IUPAC2-bromo-4-fluoro-N-(1-methylpyrazol-4-yl)benzenesulfonamide
SMILESCn1cc(NS(=O)(=O)c2ccc(F)cc2Br)cn1
InChIInChI=1S/C10H9BrFN3O2S/c1-15-6-8(5-13-15)14-18(16,17)10-3-2-7(12)4-9(10)11/h2-6,14H,1H3
InChIKeyRVKJVAHMMPTMNI-UHFFFAOYSA-N
MW334.17 g/mol
LogP2.12
Rot. Bonds3

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

2-bromo-4-fluoro-N-(1-methylpyrazol-4-yl)benzenesulfonamide (PubChem CID 47257501) has the molecular formula C10H9BrFN3O2S and a molecular weight of 334.17 g/mol. Its IUPAC name is 2-bromo-4-fluoro-N-(1-methylpyrazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-4-fluoro-N-(1-methylpyrazol-4-yl)benzenesulfonamide
PubChem CID47257501
Molecular FormulaC10H9BrFN3O2S
Molecular Weight334.17 g/mol
Exact Mass332.96
IUPAC Name2-bromo-4-fluoro-N-(1-methylpyrazol-4-yl)benzenesulfonamide
SMILESCn1cc(NS(=O)(=O)c2ccc(F)cc2Br)cn1
InChIInChI=1S/C10H9BrFN3O2S/c1-15-6-8(5-13-15)14-18(16,17)10-3-2-7(12)4-9(10)11/h2-6,14H,1H3
InChIKeyRVKJVAHMMPTMNI-UHFFFAOYSA-N
XLogP2.12
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.17
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromophenyl)-1,3-dimethyl-1H-pyrazole-4-sulfonamide
CID 6467434
4-bromo-N-(1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl)benzenesulfonamide
CID 71810288
2-bromo-5-fluoro-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 71912807
4-bromo-N-(1,5-dimethyl-1H-pyrazol-4-yl)benzenesulfonamide
CID 17376813
4-Bromo-N-(1,3-dimethyl-1H-pyrazol-4-yl)-benzenesulfonamide
CID 22209076
4-Bromo-N-(1-methyl-1H-pyrazol-4-yl)-benzenesulfonamide
CID 39874242
4-Bromo-2-fluoro-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)-benzenesulfonamide
CID 58561188
N-(1-tert-butylpyrazol-4-yl)-2,4,5-trifluorobenzenesulfonamide
CID 53602876
N-methyl-N-(1-methylpyrazol-4-yl)benzenesulfonamide
CID 56795217
N-(3,5-dibromo-4-fluorophenyl)-1-methylpyrazole-4-sulfonamide
CID 170556518
N-(4-bromo-2-fluorophenyl)-1,3-dimethylpyrazole-4-sulfonamide
CID 1509134
N-(4-bromo-2-fluorophenyl)-1,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 4775964

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-N-(1-methylpyrazol-4-yl)benzenesulfonamide?
The IUPAC name of 2-bromo-4-fluoro-N-(1-methylpyrazol-4-yl)benzenesulfonamide (CID 47257501) is 2-bromo-4-fluoro-N-(1-methylpyrazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-4-fluoro-N-(1-methylpyrazol-4-yl)benzenesulfonamide?
The canonical SMILES for 2-bromo-4-fluoro-N-(1-methylpyrazol-4-yl)benzenesulfonamide is Cn1cc(NS(=O)(=O)c2ccc(F)cc2Br)cn1.
What is the InChIKey of 2-bromo-4-fluoro-N-(1-methylpyrazol-4-yl)benzenesulfonamide?
The InChIKey is RVKJVAHMMPTMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrFN3O2S/c1-15-6-8(5-13-15)14-18(16,17)10-3-2-7(12)4-9(10)11/h2-6,14H,1H3.
What are the key properties of 2-bromo-4-fluoro-N-(1-methylpyrazol-4-yl)benzenesulfonamide?
2-bromo-4-fluoro-N-(1-methylpyrazol-4-yl)benzenesulfonamide has a molecular weight of 334.17 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-N-(1-methylpyrazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 47257501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).