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

C18H20N4O2S — CID 39328743

IUPAC4-(2-methylpropyl)-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide
SMILESCC(C)Cc1ccc(S(=O)(=O)Nc2ccc(-n3cccn3)nc2)cc1
InChIInChI=1S/C18H20N4O2S/c1-14(2)12-15-4-7-17(8-5-15)25(23,24)21-16-6-9-18(19-13-16)22-11-3-10-20-22/h3-11,13-14,21H,12H2,1-2H3
InChIKeyUMCQMTJAIFVZLF-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.27
Rot. Bonds6

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

4-(2-methylpropyl)-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide (PubChem CID 39328743) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is 4-(2-methylpropyl)-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-methylpropyl)-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide
PubChem CID39328743
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC Name4-(2-methylpropyl)-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide
SMILESCC(C)Cc1ccc(S(=O)(=O)Nc2ccc(-n3cccn3)nc2)cc1
InChIInChI=1S/C18H20N4O2S/c1-14(2)12-15-4-7-17(8-5-15)25(23,24)21-16-6-9-18(19-13-16)22-11-3-10-20-22/h3-11,13-14,21H,12H2,1-2H3
InChIKeyUMCQMTJAIFVZLF-UHFFFAOYSA-N
XLogP3.27
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-propan-2-yl-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide
CID 25499352
4-chloro-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide
CID 25499347
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-(2-methylpropyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide
CID 22205818
4-methoxy-3-nitro-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide
CID 36618610
3-methyl-N-(6-pyrazol-1-yl-3-pyridinyl)butanamide
CID 25349174
5-tert-butyl-2-methyl-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide
CID 30868177
1-[4-(2-methylpropyl)phenyl]sulfonylpyrazole
CID 6621128
N-(4-chlorophenyl)-4-(2-methylpropyl)benzenesulfonamide
CID 22773341
N-[(4-fluorophenyl)methyl]-6-pyrazol-1-ylpyridin-3-amine
CID 43704289
N-[4-[(2-methylphenyl)sulfamoyl]phenyl]-4-(2-methylpropyl)benzenesulfonamide
CID 22202709

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide?
The IUPAC name of 4-(2-methylpropyl)-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide (CID 39328743) is 4-(2-methylpropyl)-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 4-(2-methylpropyl)-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide?
The canonical SMILES for 4-(2-methylpropyl)-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide is CC(C)Cc1ccc(S(=O)(=O)Nc2ccc(-n3cccn3)nc2)cc1.
What is the InChIKey of 4-(2-methylpropyl)-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide?
The InChIKey is UMCQMTJAIFVZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-14(2)12-15-4-7-17(8-5-15)25(23,24)21-16-6-9-18(19-13-16)22-11-3-10-20-22/h3-11,13-14,21H,12H2,1-2H3.
What are the key properties of 4-(2-methylpropyl)-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide?
4-(2-methylpropyl)-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide has a molecular weight of 356.45 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 39328743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).