3-methyl-N-pentyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-2-sulfonamide

C18H28N4O2S — CID 167825923

IUPAC3-methyl-N-pentyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-2-sulfonamide
SMILESCCCCCN(Cc1c(C)nn(C)c1C)S(=O)(=O)c1ncccc1C
InChIInChI=1S/C18H28N4O2S/c1-6-7-8-12-22(13-17-15(3)20-21(5)16(17)4)25(23,24)18-14(2)10-9-11-19-18/h9-11H,6-8,12-13H2,1-5H3
InChIKeyCUMIIAIQMCGUGP-UHFFFAOYSA-N
MW364.52 g/mol
LogP3.12
Rot. Bonds8

About 3-methyl-N-pentyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-2-sulfonamide

3-methyl-N-pentyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-2-sulfonamide (PubChem CID 167825923) has the molecular formula C18H28N4O2S and a molecular weight of 364.52 g/mol. Its IUPAC name is 3-methyl-N-pentyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-2-sulfonamide.

Molecular Properties

Compound Name3-methyl-N-pentyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-2-sulfonamide
PubChem CID167825923
Molecular FormulaC18H28N4O2S
Molecular Weight364.52 g/mol
Exact Mass364.19
IUPAC Name3-methyl-N-pentyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-2-sulfonamide
SMILESCCCCCN(Cc1c(C)nn(C)c1C)S(=O)(=O)c1ncccc1C
InChIInChI=1S/C18H28N4O2S/c1-6-7-8-12-22(13-17-15(3)20-21(5)16(17)4)25(23,24)18-14(2)10-9-11-19-18/h9-11H,6-8,12-13H2,1-5H3
InChIKeyCUMIIAIQMCGUGP-UHFFFAOYSA-N
XLogP3.12
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.52
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-N,N-dipentylpyridine-2-sulfonamide
CID 103299737
N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinoline-8-sulfonamide
CID 831765
N,N-dibutyl-3-(ethylamino)pyridine-2-sulfonamide
CID 103304336
5-chloro-1-methyl-N,N-dipentylimidazole-4-sulfonamide
CID 61047067
N-(3-aminopropyl)-N-benzyl-1,3,5-trimethylpyrazole-4-sulfonamide;hydrochloride
CID 120664341
N-ethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinoline-6-carboxamide
CID 91762656
N,3,4-trimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzenesulfonamide
CID 22771503
2-(dioctylsulfamoyl)-N-(3-methyl-2-pyridinyl)acetamide
CID 18988684
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylhexanamide
CID 60521825
2-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridin-3-amine
CID 79042080
2-chloro-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzenesulfonamide
CID 151990254
N-ethyl-3-fluoro-N-[(2-methylphenyl)methyl]pyridine-2-sulfonamide
CID 103299471

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-pentyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-2-sulfonamide?
The IUPAC name of 3-methyl-N-pentyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-2-sulfonamide (CID 167825923) is 3-methyl-N-pentyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-2-sulfonamide.
What is the SMILES notation for 3-methyl-N-pentyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-2-sulfonamide?
The canonical SMILES for 3-methyl-N-pentyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-2-sulfonamide is CCCCCN(Cc1c(C)nn(C)c1C)S(=O)(=O)c1ncccc1C.
What is the InChIKey of 3-methyl-N-pentyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-2-sulfonamide?
The InChIKey is CUMIIAIQMCGUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2S/c1-6-7-8-12-22(13-17-15(3)20-21(5)16(17)4)25(23,24)18-14(2)10-9-11-19-18/h9-11H,6-8,12-13H2,1-5H3.
What are the key properties of 3-methyl-N-pentyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-2-sulfonamide?
3-methyl-N-pentyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-2-sulfonamide has a molecular weight of 364.52 g/mol, XLogP of 3.12, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-pentyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-2-sulfonamide is sourced from PubChem (CID 167825923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).