N-(5-bromo-3-pyridinyl)-1-(2-fluorophenyl)pyrazole-4-sulfonamide

C14H10BrFN4O2S — CID 146122810

IUPACN-(5-bromo-3-pyridinyl)-1-(2-fluorophenyl)pyrazole-4-sulfonamide
SMILESO=S(=O)(Nc1cncc(Br)c1)c1cnn(-c2ccccc2F)c1
InChIInChI=1S/C14H10BrFN4O2S/c15-10-5-11(7-17-6-10)19-23(21,22)12-8-18-20(9-12)14-4-2-1-3-13(14)16/h1-9,19H
InChIKeyFCNFCTCLCXVTJB-UHFFFAOYSA-N
MW397.23 g/mol
LogP2.97
Rot. Bonds4

About N-(5-bromo-3-pyridinyl)-1-(2-fluorophenyl)pyrazole-4-sulfonamide

N-(5-bromo-3-pyridinyl)-1-(2-fluorophenyl)pyrazole-4-sulfonamide (PubChem CID 146122810) has the molecular formula C14H10BrFN4O2S and a molecular weight of 397.23 g/mol. Its IUPAC name is N-(5-bromo-3-pyridinyl)-1-(2-fluorophenyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(5-bromo-3-pyridinyl)-1-(2-fluorophenyl)pyrazole-4-sulfonamide
PubChem CID146122810
Molecular FormulaC14H10BrFN4O2S
Molecular Weight397.23 g/mol
Exact Mass395.97
IUPAC NameN-(5-bromo-3-pyridinyl)-1-(2-fluorophenyl)pyrazole-4-sulfonamide
SMILESO=S(=O)(Nc1cncc(Br)c1)c1cnn(-c2ccccc2F)c1
InChIInChI=1S/C14H10BrFN4O2S/c15-10-5-11(7-17-6-10)19-23(21,22)12-8-18-20(9-12)14-4-2-1-3-13(14)16/h1-9,19H
InChIKeyFCNFCTCLCXVTJB-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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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-3-pyridinyl)-1-(2-fluorophenyl)pyrazole-4-sulfonamide?
The IUPAC name of N-(5-bromo-3-pyridinyl)-1-(2-fluorophenyl)pyrazole-4-sulfonamide (CID 146122810) is N-(5-bromo-3-pyridinyl)-1-(2-fluorophenyl)pyrazole-4-sulfonamide.
What is the SMILES notation for N-(5-bromo-3-pyridinyl)-1-(2-fluorophenyl)pyrazole-4-sulfonamide?
The canonical SMILES for N-(5-bromo-3-pyridinyl)-1-(2-fluorophenyl)pyrazole-4-sulfonamide is O=S(=O)(Nc1cncc(Br)c1)c1cnn(-c2ccccc2F)c1.
What is the InChIKey of N-(5-bromo-3-pyridinyl)-1-(2-fluorophenyl)pyrazole-4-sulfonamide?
The InChIKey is FCNFCTCLCXVTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFN4O2S/c15-10-5-11(7-17-6-10)19-23(21,22)12-8-18-20(9-12)14-4-2-1-3-13(14)16/h1-9,19H.
What are the key properties of N-(5-bromo-3-pyridinyl)-1-(2-fluorophenyl)pyrazole-4-sulfonamide?
N-(5-bromo-3-pyridinyl)-1-(2-fluorophenyl)pyrazole-4-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-(5-bromo-3-pyridinyl)-1-(2-fluorophenyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 146122810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).