4-propan-2-yl-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide

C17H18N4O2S — CID 25499352

IUPAC4-propan-2-yl-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)Nc2ccc(-n3cccn3)nc2)cc1
InChIInChI=1S/C17H18N4O2S/c1-13(2)14-4-7-16(8-5-14)24(22,23)20-15-6-9-17(18-12-15)21-11-3-10-19-21/h3-13,20H,1-2H3
InChIKeyPYFDKKFQEOMDSF-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.19
Rot. Bonds5

About 4-propan-2-yl-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide

4-propan-2-yl-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide (PubChem CID 25499352) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is 4-propan-2-yl-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name4-propan-2-yl-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide
PubChem CID25499352
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name4-propan-2-yl-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)Nc2ccc(-n3cccn3)nc2)cc1
InChIInChI=1S/C17H18N4O2S/c1-13(2)14-4-7-16(8-5-14)24(22,23)20-15-6-9-17(18-12-15)21-11-3-10-19-21/h3-13,20H,1-2H3
InChIKeyPYFDKKFQEOMDSF-UHFFFAOYSA-N
XLogP3.19
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide
CID 25499347
4-(2-methylpropyl)-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide
CID 39328743
3,4-dimethoxy-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide
CID 36618671
dimethyl 5-[(6-pyrazol-1-yl-3-pyridinyl)sulfamoyl]benzene-1,3-dicarboxylate
CID 30766155
4-fluoro-N-[6-(4-propan-2-ylanilino)-3-pyridinyl]benzenesulfonamide
CID 113017865
4-methoxy-3-nitro-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide
CID 36618610
N-[6-(2-methylanilino)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide
CID 113016162
5-tert-butyl-2-methyl-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide
CID 30868177
4-fluoro-N-[6-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]benzenesulfonamide
CID 46054096
4-propan-2-yl-N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]benzenesulfonamide
CID 113012969
N-[6-(2,3-dimethylanilino)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide
CID 113017322
1-[5-[(4-propan-2-ylphenyl)sulfonylamino]-2-pyridinyl]piperidine-3-carboxamide
CID 86967490

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide?
The IUPAC name of 4-propan-2-yl-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide (CID 25499352) is 4-propan-2-yl-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 4-propan-2-yl-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide?
The canonical SMILES for 4-propan-2-yl-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide is CC(C)c1ccc(S(=O)(=O)Nc2ccc(-n3cccn3)nc2)cc1.
What is the InChIKey of 4-propan-2-yl-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide?
The InChIKey is PYFDKKFQEOMDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-13(2)14-4-7-16(8-5-14)24(22,23)20-15-6-9-17(18-12-15)21-11-3-10-19-21/h3-13,20H,1-2H3.
What are the key properties of 4-propan-2-yl-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide?
4-propan-2-yl-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide has a molecular weight of 342.42 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 25499352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).