N-[4-(2-methoxyethoxy)butyl]-1H-pyrazole-4-sulfonamide

C10H19N3O4S — CID 115599999

IUPACN-[4-(2-methoxyethoxy)butyl]-1H-pyrazole-4-sulfonamide
SMILESCOCCOCCCCNS(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C10H19N3O4S/c1-16-6-7-17-5-3-2-4-13-18(14,15)10-8-11-12-9-10/h8-9,13H,2-7H2,1H3,(H,11,12)
InChIKeyBHTHOOSNKZNSGW-UHFFFAOYSA-N
MW277.35 g/mol
LogP0.13
Rot. Bonds10

About N-[4-(2-methoxyethoxy)butyl]-1H-pyrazole-4-sulfonamide

N-[4-(2-methoxyethoxy)butyl]-1H-pyrazole-4-sulfonamide (PubChem CID 115599999) has the molecular formula C10H19N3O4S and a molecular weight of 277.35 g/mol. Its IUPAC name is N-[4-(2-methoxyethoxy)butyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[4-(2-methoxyethoxy)butyl]-1H-pyrazole-4-sulfonamide
PubChem CID115599999
Molecular FormulaC10H19N3O4S
Molecular Weight277.35 g/mol
Exact Mass277.11
IUPAC NameN-[4-(2-methoxyethoxy)butyl]-1H-pyrazole-4-sulfonamide
SMILESCOCCOCCCCNS(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C10H19N3O4S/c1-16-6-7-17-5-3-2-4-13-18(14,15)10-8-11-12-9-10/h8-9,13H,2-7H2,1H3,(H,11,12)
InChIKeyBHTHOOSNKZNSGW-UHFFFAOYSA-N
XLogP0.13
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 50.13
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

N-[2-(2-methoxyethoxy)ethyl]-1H-pyrazole-4-sulfonamide
CID 47959278
N-(3-methylsulfonylpropyl)-1H-pyrazole-4-sulfonamide
CID 47292229
N-(2-methylsulfanylethyl)-1H-pyrazole-4-sulfonamide
CID 60916750
N-(4-chloropentyl)-1H-pyrazole-4-sulfonamide
CID 106135484
N-[3-[methyl(propan-2-yl)amino]propyl]-1H-pyrazole-4-sulfonamide
CID 113226739
N-[3-(2-methoxyethoxy)propyl]-4-methylsulfonylbenzenesulfonamide
CID 55559817
N-[(E)-pent-3-enyl]-1H-pyrazole-4-sulfonamide
CID 115628631
5-(ethylaminomethyl)-N-[3-(2-methoxyethoxy)propyl]-1H-pyrrole-3-sulfonamide
CID 106001839
2-bromo-N-[4-(2-methoxyethoxy)butyl]benzenesulfonamide
CID 115600011
N-(2-chloropropyl)-1H-pyrazole-4-sulfonamide
CID 65033570
1-(3-aminopropyl)-N-[3-(2-methoxyethoxy)propyl]pyrazole-4-sulfonamide
CID 106001877
N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-4-sulfonamide
CID 131915211

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methoxyethoxy)butyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[4-(2-methoxyethoxy)butyl]-1H-pyrazole-4-sulfonamide (CID 115599999) is N-[4-(2-methoxyethoxy)butyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[4-(2-methoxyethoxy)butyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[4-(2-methoxyethoxy)butyl]-1H-pyrazole-4-sulfonamide is COCCOCCCCNS(=O)(=O)c1cn[nH]c1.
What is the InChIKey of N-[4-(2-methoxyethoxy)butyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is BHTHOOSNKZNSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O4S/c1-16-6-7-17-5-3-2-4-13-18(14,15)10-8-11-12-9-10/h8-9,13H,2-7H2,1H3,(H,11,12).
What are the key properties of N-[4-(2-methoxyethoxy)butyl]-1H-pyrazole-4-sulfonamide?
N-[4-(2-methoxyethoxy)butyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 277.35 g/mol, XLogP of 0.13, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methoxyethoxy)butyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 115599999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).