5-bromo-N-[2-(1-methylpyrazol-4-yl)-3-pyridinyl]pyridine-3-sulfonamide

C14H12BrN5O2S — CID 154806125

IUPAC5-bromo-N-[2-(1-methylpyrazol-4-yl)-3-pyridinyl]pyridine-3-sulfonamide
SMILESCn1cc(-c2ncccc2NS(=O)(=O)c2cncc(Br)c2)cn1
InChIInChI=1S/C14H12BrN5O2S/c1-20-9-10(6-18-20)14-13(3-2-4-17-14)19-23(21,22)12-5-11(15)7-16-8-12/h2-9,19H,1H3
InChIKeyRJPUKYDEHRGGRC-UHFFFAOYSA-N
MW394.25 g/mol
LogP2.44
Rot. Bonds4

About 5-bromo-N-[2-(1-methylpyrazol-4-yl)-3-pyridinyl]pyridine-3-sulfonamide

5-bromo-N-[2-(1-methylpyrazol-4-yl)-3-pyridinyl]pyridine-3-sulfonamide (PubChem CID 154806125) has the molecular formula C14H12BrN5O2S and a molecular weight of 394.25 g/mol. Its IUPAC name is 5-bromo-N-[2-(1-methylpyrazol-4-yl)-3-pyridinyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[2-(1-methylpyrazol-4-yl)-3-pyridinyl]pyridine-3-sulfonamide
PubChem CID154806125
Molecular FormulaC14H12BrN5O2S
Molecular Weight394.25 g/mol
Exact Mass392.99
IUPAC Name5-bromo-N-[2-(1-methylpyrazol-4-yl)-3-pyridinyl]pyridine-3-sulfonamide
SMILESCn1cc(-c2ncccc2NS(=O)(=O)c2cncc(Br)c2)cn1
InChIInChI=1S/C14H12BrN5O2S/c1-20-9-10(6-18-20)14-13(3-2-4-17-14)19-23(21,22)12-5-11(15)7-16-8-12/h2-9,19H,1H3
InChIKeyRJPUKYDEHRGGRC-UHFFFAOYSA-N
XLogP2.44
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.25
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(1-methylpyrazol-4-yl)-3-pyridinyl]pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-N-[2-(1-methylpyrazol-4-yl)-3-pyridinyl]pyridine-3-sulfonamide (CID 154806125) is 5-bromo-N-[2-(1-methylpyrazol-4-yl)-3-pyridinyl]pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-N-[2-(1-methylpyrazol-4-yl)-3-pyridinyl]pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-N-[2-(1-methylpyrazol-4-yl)-3-pyridinyl]pyridine-3-sulfonamide is Cn1cc(-c2ncccc2NS(=O)(=O)c2cncc(Br)c2)cn1.
What is the InChIKey of 5-bromo-N-[2-(1-methylpyrazol-4-yl)-3-pyridinyl]pyridine-3-sulfonamide?
The InChIKey is RJPUKYDEHRGGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN5O2S/c1-20-9-10(6-18-20)14-13(3-2-4-17-14)19-23(21,22)12-5-11(15)7-16-8-12/h2-9,19H,1H3.
What are the key properties of 5-bromo-N-[2-(1-methylpyrazol-4-yl)-3-pyridinyl]pyridine-3-sulfonamide?
5-bromo-N-[2-(1-methylpyrazol-4-yl)-3-pyridinyl]pyridine-3-sulfonamide has a molecular weight of 394.25 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(1-methylpyrazol-4-yl)-3-pyridinyl]pyridine-3-sulfonamide is sourced from PubChem (CID 154806125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).