1-(2-hydroxyethyl)-N-(7-methyloctyl)pyrazole-4-sulfonamide

C14H27N3O3S — CID 107818607

IUPAC1-(2-hydroxyethyl)-N-(7-methyloctyl)pyrazole-4-sulfonamide
SMILESCC(C)CCCCCCNS(=O)(=O)c1cnn(CCO)c1
InChIInChI=1S/C14H27N3O3S/c1-13(2)7-5-3-4-6-8-16-21(19,20)14-11-15-17(12-14)9-10-18/h11-13,16,18H,3-10H2,1-2H3
InChIKeyZBOAGNYBCFOQMZ-UHFFFAOYSA-N
MW317.46 g/mol
LogP1.76
Rot. Bonds11

About 1-(2-hydroxyethyl)-N-(7-methyloctyl)pyrazole-4-sulfonamide

1-(2-hydroxyethyl)-N-(7-methyloctyl)pyrazole-4-sulfonamide (PubChem CID 107818607) has the molecular formula C14H27N3O3S and a molecular weight of 317.46 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-N-(7-methyloctyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-N-(7-methyloctyl)pyrazole-4-sulfonamide
PubChem CID107818607
Molecular FormulaC14H27N3O3S
Molecular Weight317.46 g/mol
Exact Mass317.18
IUPAC Name1-(2-hydroxyethyl)-N-(7-methyloctyl)pyrazole-4-sulfonamide
SMILESCC(C)CCCCCCNS(=O)(=O)c1cnn(CCO)c1
InChIInChI=1S/C14H27N3O3S/c1-13(2)7-5-3-4-6-8-16-21(19,20)14-11-15-17(12-14)9-10-18/h11-13,16,18H,3-10H2,1-2H3
InChIKeyZBOAGNYBCFOQMZ-UHFFFAOYSA-N
XLogP1.76
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2-aminoethyl)-N-(3-methylbutyl)pyrazole-4-sulfonamide
CID 106059006
1-(2-hydroxyethyl)-N-(2-methylsulfanylpropyl)pyrazole-4-sulfonamide
CID 114135391
3-[4-(4-hydroxybutylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 106840456
1-[3-(methylamino)propyl]-N-pentylpyrazole-4-sulfonamide
CID 106058189
1-(2-hydroxyethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrazole-4-sulfonamide
CID 79357659
3-[4-(hexylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 43513674
5-(hydroxymethyl)-1-methyl-N-(5-methylhexyl)pyrrole-3-sulfonamide
CID 115327459
1-[2-(ethylamino)ethyl]-N-pentylpyrazole-4-sulfonamide
CID 106058154
1-[3-(methylamino)propyl]-N-(2-propan-2-yloxyethyl)pyrazole-4-sulfonamide
CID 106077484
1-(2-aminoethyl)-N-(5-methylsulfanylpentyl)pyrazole-4-sulfonamide
CID 106093633
3-[4-(3-hydroxybutylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 64927716
N-(1-cyclopropylethyl)-1-(2-hydroxyethyl)pyrazole-4-sulfonamide
CID 114133664

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-N-(7-methyloctyl)pyrazole-4-sulfonamide?
The IUPAC name of 1-(2-hydroxyethyl)-N-(7-methyloctyl)pyrazole-4-sulfonamide (CID 107818607) is 1-(2-hydroxyethyl)-N-(7-methyloctyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-(2-hydroxyethyl)-N-(7-methyloctyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-(2-hydroxyethyl)-N-(7-methyloctyl)pyrazole-4-sulfonamide is CC(C)CCCCCCNS(=O)(=O)c1cnn(CCO)c1.
What is the InChIKey of 1-(2-hydroxyethyl)-N-(7-methyloctyl)pyrazole-4-sulfonamide?
The InChIKey is ZBOAGNYBCFOQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3S/c1-13(2)7-5-3-4-6-8-16-21(19,20)14-11-15-17(12-14)9-10-18/h11-13,16,18H,3-10H2,1-2H3.
What are the key properties of 1-(2-hydroxyethyl)-N-(7-methyloctyl)pyrazole-4-sulfonamide?
1-(2-hydroxyethyl)-N-(7-methyloctyl)pyrazole-4-sulfonamide has a molecular weight of 317.46 g/mol, XLogP of 1.76, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-N-(7-methyloctyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 107818607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).