N-[4-bromo-1-(4-fluorophenyl)pyrazol-5-yl]pyridine-3-sulfonamide

C14H10BrFN4O2S — CID 167773950

IUPACN-[4-bromo-1-(4-fluorophenyl)pyrazol-5-yl]pyridine-3-sulfonamide
SMILESO=S(=O)(Nc1c(Br)cnn1-c1ccc(F)cc1)c1cccnc1
InChIInChI=1S/C14H10BrFN4O2S/c15-13-9-18-20(11-5-3-10(16)4-6-11)14(13)19-23(21,22)12-2-1-7-17-8-12/h1-9,19H
InChIKeyGFZPZAHYKHIPNS-UHFFFAOYSA-N
MW397.23 g/mol
LogP2.97
Rot. Bonds4

About N-[4-bromo-1-(4-fluorophenyl)pyrazol-5-yl]pyridine-3-sulfonamide

N-[4-bromo-1-(4-fluorophenyl)pyrazol-5-yl]pyridine-3-sulfonamide (PubChem CID 167773950) has the molecular formula C14H10BrFN4O2S and a molecular weight of 397.23 g/mol. Its IUPAC name is N-[4-bromo-1-(4-fluorophenyl)pyrazol-5-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[4-bromo-1-(4-fluorophenyl)pyrazol-5-yl]pyridine-3-sulfonamide
PubChem CID167773950
Molecular FormulaC14H10BrFN4O2S
Molecular Weight397.23 g/mol
Exact Mass395.97
IUPAC NameN-[4-bromo-1-(4-fluorophenyl)pyrazol-5-yl]pyridine-3-sulfonamide
SMILESO=S(=O)(Nc1c(Br)cnn1-c1ccc(F)cc1)c1cccnc1
InChIInChI=1S/C14H10BrFN4O2S/c15-13-9-18-20(11-5-3-10(16)4-6-11)14(13)19-23(21,22)12-2-1-7-17-8-12/h1-9,19H
InChIKeyGFZPZAHYKHIPNS-UHFFFAOYSA-N
XLogP2.97
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.23
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Sulfaphenazole
CID 5335
N-(2-pyridin-2-ylpyrazol-3-yl)-4-(trifluoromethyl)benzenesulfonamide
CID 76685194
N-(4-methyl-2-pyridinyl)-4-pyrazol-1-ylbenzenesulfonamide
CID 20914793
N-(2-pyridin-2-ylpyrazol-3-yl)-4-(trifluoromethylsulfanyl)benzenesulfonamide
CID 90285722
N-(2-pyridin-2-ylpyrazol-3-yl)-4-(trifluoromethylsulfonyl)benzenesulfonamide
CID 90285806
Benzenesulfonamide, 4-chloro-2-fluoro-N-[1-(2-pyridinyl)-1H-pyrazol-5-yl]-
CID 90285984
4-Azido-N-(2-phenyl-2H-pyrazol-3-yl)-benzenesulfonamide
CID 10617103
N-(5-methyl-2-pyridinyl)-4-pyrazol-1-ylbenzenesulfonamide
CID 20914762
4-(1H-pyrazol-1-yl)-N-(pyridin-2-yl)benzene-1-sulfonamide
CID 20914814
N-(2-Phenyl-2H-pyrazol-3-yl)-benzenesulfonamide
CID 10709273
4-bromo-N-(1-phenyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 1369549
N-(4-fluorophenyl)[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide
CID 53153322

Frequently Asked Questions

What is the IUPAC name of N-[4-bromo-1-(4-fluorophenyl)pyrazol-5-yl]pyridine-3-sulfonamide?
The IUPAC name of N-[4-bromo-1-(4-fluorophenyl)pyrazol-5-yl]pyridine-3-sulfonamide (CID 167773950) is N-[4-bromo-1-(4-fluorophenyl)pyrazol-5-yl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[4-bromo-1-(4-fluorophenyl)pyrazol-5-yl]pyridine-3-sulfonamide?
The canonical SMILES for N-[4-bromo-1-(4-fluorophenyl)pyrazol-5-yl]pyridine-3-sulfonamide is O=S(=O)(Nc1c(Br)cnn1-c1ccc(F)cc1)c1cccnc1.
What is the InChIKey of N-[4-bromo-1-(4-fluorophenyl)pyrazol-5-yl]pyridine-3-sulfonamide?
The InChIKey is GFZPZAHYKHIPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFN4O2S/c15-13-9-18-20(11-5-3-10(16)4-6-11)14(13)19-23(21,22)12-2-1-7-17-8-12/h1-9,19H.
What are the key properties of N-[4-bromo-1-(4-fluorophenyl)pyrazol-5-yl]pyridine-3-sulfonamide?
N-[4-bromo-1-(4-fluorophenyl)pyrazol-5-yl]pyridine-3-sulfonamide has a molecular weight of 397.23 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-bromo-1-(4-fluorophenyl)pyrazol-5-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 167773950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).