4-pyrazol-1-yl-N-[(3-pyridin-4-ylpyrazin-2-yl)methyl]benzenesulfonamide

C19H16N6O2S — CID 126851727

IUPAC4-pyrazol-1-yl-N-[(3-pyridin-4-ylpyrazin-2-yl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1nccnc1-c1ccncc1)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C19H16N6O2S/c26-28(27,17-4-2-16(3-5-17)25-13-1-8-23-25)24-14-18-19(22-12-11-21-18)15-6-9-20-10-7-15/h1-13,24H,14H2
InChIKeyJLUZJSWGMQKMLE-UHFFFAOYSA-N
MW392.44 g/mol
LogP2.20
Rot. Bonds6

About 4-pyrazol-1-yl-N-[(3-pyridin-4-ylpyrazin-2-yl)methyl]benzenesulfonamide

4-pyrazol-1-yl-N-[(3-pyridin-4-ylpyrazin-2-yl)methyl]benzenesulfonamide (PubChem CID 126851727) has the molecular formula C19H16N6O2S and a molecular weight of 392.44 g/mol. Its IUPAC name is 4-pyrazol-1-yl-N-[(3-pyridin-4-ylpyrazin-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-pyrazol-1-yl-N-[(3-pyridin-4-ylpyrazin-2-yl)methyl]benzenesulfonamide
PubChem CID126851727
Molecular FormulaC19H16N6O2S
Molecular Weight392.44 g/mol
Exact Mass392.11
IUPAC Name4-pyrazol-1-yl-N-[(3-pyridin-4-ylpyrazin-2-yl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1nccnc1-c1ccncc1)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C19H16N6O2S/c26-28(27,17-4-2-16(3-5-17)25-13-1-8-23-25)24-14-18-19(22-12-11-21-18)15-6-9-20-10-7-15/h1-13,24H,14H2
InChIKeyJLUZJSWGMQKMLE-UHFFFAOYSA-N
XLogP2.20
TPSA102.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]-4-pyrazol-1-ylbenzenesulfonamide
CID 122246650
N-[(3-pyridin-4-ylpyrazin-2-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 126851725
4-propyl-N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide
CID 22205150
2-[[4-(4-pyrazol-1-ylphenyl)phenyl]sulfonylamino]acetic acid
CID 167835860
N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]-4-pyrazol-1-ylbenzenesulfonamide
CID 122353295
N-[(4-pyrazol-1-ylphenyl)methyl]thiophene-2-sulfonamide
CID 22205170
N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-4-pyrazol-1-ylbenzenesulfonamide
CID 121170267
5-fluoro-2-methoxy-N-[(3-pyridin-4-ylpyrazin-2-yl)methyl]benzenesulfonamide
CID 126854274
N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-4-pyrazol-1-ylbenzenesulfonamide
CID 122352585
N,N-dimethyl-4-[[(4-pyrazol-1-ylphenyl)sulfonylamino]methyl]piperidine-1-sulfonamide
CID 122161875
4-pyrazol-1-yl-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]benzenesulfonamide
CID 122289030
4-pyrazol-1-yl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]benzamide
CID 26425964

Frequently Asked Questions

What is the IUPAC name of 4-pyrazol-1-yl-N-[(3-pyridin-4-ylpyrazin-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-pyrazol-1-yl-N-[(3-pyridin-4-ylpyrazin-2-yl)methyl]benzenesulfonamide (CID 126851727) is 4-pyrazol-1-yl-N-[(3-pyridin-4-ylpyrazin-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-pyrazol-1-yl-N-[(3-pyridin-4-ylpyrazin-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-pyrazol-1-yl-N-[(3-pyridin-4-ylpyrazin-2-yl)methyl]benzenesulfonamide is O=S(=O)(NCc1nccnc1-c1ccncc1)c1ccc(-n2cccn2)cc1.
What is the InChIKey of 4-pyrazol-1-yl-N-[(3-pyridin-4-ylpyrazin-2-yl)methyl]benzenesulfonamide?
The InChIKey is JLUZJSWGMQKMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O2S/c26-28(27,17-4-2-16(3-5-17)25-13-1-8-23-25)24-14-18-19(22-12-11-21-18)15-6-9-20-10-7-15/h1-13,24H,14H2.
What are the key properties of 4-pyrazol-1-yl-N-[(3-pyridin-4-ylpyrazin-2-yl)methyl]benzenesulfonamide?
4-pyrazol-1-yl-N-[(3-pyridin-4-ylpyrazin-2-yl)methyl]benzenesulfonamide has a molecular weight of 392.44 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrazol-1-yl-N-[(3-pyridin-4-ylpyrazin-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 126851727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).