3,5-dimethyl-N-[2-(3-methylphenoxy)ethyl]-1H-pyrazole-4-sulfonamide

C14H19N3O3S — CID 60700211

IUPAC3,5-dimethyl-N-[2-(3-methylphenoxy)ethyl]-1H-pyrazole-4-sulfonamide
SMILESCc1cccc(OCCNS(=O)(=O)c2c(C)n[nH]c2C)c1
InChIInChI=1S/C14H19N3O3S/c1-10-5-4-6-13(9-10)20-8-7-15-21(18,19)14-11(2)16-17-12(14)3/h4-6,9,15H,7-8H2,1-3H3,(H,16,17)
InChIKeyJZUAEPHIVBRYKB-UHFFFAOYSA-N
MW309.39 g/mol
LogP1.69
Rot. Bonds6

About 3,5-dimethyl-N-[2-(3-methylphenoxy)ethyl]-1H-pyrazole-4-sulfonamide

3,5-dimethyl-N-[2-(3-methylphenoxy)ethyl]-1H-pyrazole-4-sulfonamide (PubChem CID 60700211) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is 3,5-dimethyl-N-[2-(3-methylphenoxy)ethyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[2-(3-methylphenoxy)ethyl]-1H-pyrazole-4-sulfonamide
PubChem CID60700211
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name3,5-dimethyl-N-[2-(3-methylphenoxy)ethyl]-1H-pyrazole-4-sulfonamide
SMILESCc1cccc(OCCNS(=O)(=O)c2c(C)n[nH]c2C)c1
InChIInChI=1S/C14H19N3O3S/c1-10-5-4-6-13(9-10)20-8-7-15-21(18,19)14-11(2)16-17-12(14)3/h4-6,9,15H,7-8H2,1-3H3,(H,16,17)
InChIKeyJZUAEPHIVBRYKB-UHFFFAOYSA-N
XLogP1.69
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,5-dimethyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]-1H-pyrazole-4-sulfonamide
CID 113101627
3,5-dimethyl-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]-1H-pyrazole-4-sulfonamide
CID 16823927
4-amino-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
CID 9158032
N-(2-chloroethyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 65033381
3-hydroxy-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
CID 81265088
4-tert-butyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
CID 113099165
2-methoxy-5-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
CID 8800419
N-[2-(3-methylphenoxy)ethyl]-4-methylsulfanylbenzenesulfonamide
CID 49237977
N-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 41246455
4-fluoro-3-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
CID 113099147
3,5-dimethyl-N-[3-methyl-5-[2-(pyridin-4-ylamino)ethoxy]phenyl]-1H-pyrazole-4-sulfonamide;hydrochloride
CID 142640380
2-chloro-N-[3-(3-methylphenoxy)propyl]benzenesulfonamide
CID 46644070

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[2-(3-methylphenoxy)ethyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-[2-(3-methylphenoxy)ethyl]-1H-pyrazole-4-sulfonamide (CID 60700211) is 3,5-dimethyl-N-[2-(3-methylphenoxy)ethyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-[2-(3-methylphenoxy)ethyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-[2-(3-methylphenoxy)ethyl]-1H-pyrazole-4-sulfonamide is Cc1cccc(OCCNS(=O)(=O)c2c(C)n[nH]c2C)c1.
What is the InChIKey of 3,5-dimethyl-N-[2-(3-methylphenoxy)ethyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is JZUAEPHIVBRYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-10-5-4-6-13(9-10)20-8-7-15-21(18,19)14-11(2)16-17-12(14)3/h4-6,9,15H,7-8H2,1-3H3,(H,16,17).
What are the key properties of 3,5-dimethyl-N-[2-(3-methylphenoxy)ethyl]-1H-pyrazole-4-sulfonamide?
3,5-dimethyl-N-[2-(3-methylphenoxy)ethyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 309.39 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[2-(3-methylphenoxy)ethyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 60700211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).