1,3,5-trimethyl-N-(7-oxooctyl)pyrazole-4-sulfonamide

C14H25N3O3S — CID 126821597

IUPAC1,3,5-trimethyl-N-(7-oxooctyl)pyrazole-4-sulfonamide
SMILESCC(=O)CCCCCCNS(=O)(=O)c1c(C)nn(C)c1C
InChIInChI=1S/C14H25N3O3S/c1-11(18)9-7-5-6-8-10-15-21(19,20)14-12(2)16-17(4)13(14)3/h15H,5-10H2,1-4H3
InChIKeyOXJLDBJYSOYISV-UHFFFAOYSA-N
MW315.44 g/mol
LogP1.85
Rot. Bonds9

About 1,3,5-trimethyl-N-(7-oxooctyl)pyrazole-4-sulfonamide

1,3,5-trimethyl-N-(7-oxooctyl)pyrazole-4-sulfonamide (PubChem CID 126821597) has the molecular formula C14H25N3O3S and a molecular weight of 315.44 g/mol. Its IUPAC name is 1,3,5-trimethyl-N-(7-oxooctyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1,3,5-trimethyl-N-(7-oxooctyl)pyrazole-4-sulfonamide
PubChem CID126821597
Molecular FormulaC14H25N3O3S
Molecular Weight315.44 g/mol
Exact Mass315.16
IUPAC Name1,3,5-trimethyl-N-(7-oxooctyl)pyrazole-4-sulfonamide
SMILESCC(=O)CCCCCCNS(=O)(=O)c1c(C)nn(C)c1C
InChIInChI=1S/C14H25N3O3S/c1-11(18)9-7-5-6-8-10-15-21(19,20)14-12(2)16-17(4)13(14)3/h15H,5-10H2,1-4H3
InChIKeyOXJLDBJYSOYISV-UHFFFAOYSA-N
XLogP1.85
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]heptanoic acid
CID 43241419
1,3,5-trimethyl-N-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 62658927
1,3,5-trimethyl-N-(3-propan-2-yloxypropyl)pyrazole-4-sulfonamide
CID 19684327
1,3,5-trimethyl-N-[3-(3-methylpyrazol-1-yl)propyl]pyrazole-4-sulfonamide
CID 22207301
1,3,5-trimethyl-N-[2-(propylamino)ethyl]pyrazole-4-sulfonamide
CID 55100929
1,3,5-trimethyl-N-prop-2-ynylpyrazole-4-sulfonamide
CID 55028509
2-[[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]acetyl]amino]acetic acid
CID 43387800
N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 22207448
3-amino-1,5-dimethyl-N-(3-methylsulfinylpropyl)pyrazole-4-sulfonamide
CID 105359297
N-(2-ethylbutyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 115613419
N-[2-(2-methoxyethylamino)ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 83040038
N-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 122188535

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-N-(7-oxooctyl)pyrazole-4-sulfonamide?
The IUPAC name of 1,3,5-trimethyl-N-(7-oxooctyl)pyrazole-4-sulfonamide (CID 126821597) is 1,3,5-trimethyl-N-(7-oxooctyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1,3,5-trimethyl-N-(7-oxooctyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1,3,5-trimethyl-N-(7-oxooctyl)pyrazole-4-sulfonamide is CC(=O)CCCCCCNS(=O)(=O)c1c(C)nn(C)c1C.
What is the InChIKey of 1,3,5-trimethyl-N-(7-oxooctyl)pyrazole-4-sulfonamide?
The InChIKey is OXJLDBJYSOYISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3S/c1-11(18)9-7-5-6-8-10-15-21(19,20)14-12(2)16-17(4)13(14)3/h15H,5-10H2,1-4H3.
What are the key properties of 1,3,5-trimethyl-N-(7-oxooctyl)pyrazole-4-sulfonamide?
1,3,5-trimethyl-N-(7-oxooctyl)pyrazole-4-sulfonamide has a molecular weight of 315.44 g/mol, XLogP of 1.85, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-N-(7-oxooctyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 126821597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).