4-pyrazol-1-yl-N-pyridin-2-ylbenzenesulfonamide

C14H12N4O2S — CID 20914814

IUPAC4-pyrazol-1-yl-N-pyridin-2-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1ccccn1)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C14H12N4O2S/c19-21(20,17-14-4-1-2-9-15-14)13-7-5-12(6-8-13)18-11-3-10-16-18/h1-11H,(H,15,17)
InChIKeyLLVCXABPESMQNU-UHFFFAOYSA-N
MW300.34 g/mol
LogP2.07
Rot. Bonds4

About 4-pyrazol-1-yl-N-pyridin-2-ylbenzenesulfonamide

4-pyrazol-1-yl-N-pyridin-2-ylbenzenesulfonamide (PubChem CID 20914814) has the molecular formula C14H12N4O2S and a molecular weight of 300.34 g/mol. Its IUPAC name is 4-pyrazol-1-yl-N-pyridin-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-pyrazol-1-yl-N-pyridin-2-ylbenzenesulfonamide
PubChem CID20914814
Molecular FormulaC14H12N4O2S
Molecular Weight300.34 g/mol
Exact Mass300.07
IUPAC Name4-pyrazol-1-yl-N-pyridin-2-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1ccccn1)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C14H12N4O2S/c19-21(20,17-14-4-1-2-9-15-14)13-7-5-12(6-8-13)18-11-3-10-16-18/h1-11H,(H,15,17)
InChIKeyLLVCXABPESMQNU-UHFFFAOYSA-N
XLogP2.07
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-pyrazol-1-yl-N-pyridin-2-ylbenzenesulfonamide?
The IUPAC name of 4-pyrazol-1-yl-N-pyridin-2-ylbenzenesulfonamide (CID 20914814) is 4-pyrazol-1-yl-N-pyridin-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-pyrazol-1-yl-N-pyridin-2-ylbenzenesulfonamide?
The canonical SMILES for 4-pyrazol-1-yl-N-pyridin-2-ylbenzenesulfonamide is O=S(=O)(Nc1ccccn1)c1ccc(-n2cccn2)cc1.
What is the InChIKey of 4-pyrazol-1-yl-N-pyridin-2-ylbenzenesulfonamide?
The InChIKey is LLVCXABPESMQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2S/c19-21(20,17-14-4-1-2-9-15-14)13-7-5-12(6-8-13)18-11-3-10-16-18/h1-11H,(H,15,17).
What are the key properties of 4-pyrazol-1-yl-N-pyridin-2-ylbenzenesulfonamide?
4-pyrazol-1-yl-N-pyridin-2-ylbenzenesulfonamide has a molecular weight of 300.34 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrazol-1-yl-N-pyridin-2-ylbenzenesulfonamide is sourced from PubChem (CID 20914814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).