N-[4-(2-methoxyethoxy)phenyl]-1H-pyrazole-5-sulfonamide

C12H15N3O4S — CID 102692703

IUPACN-[4-(2-methoxyethoxy)phenyl]-1H-pyrazole-5-sulfonamide
SMILESCOCCOc1ccc(NS(=O)(=O)c2ccn[nH]2)cc1
InChIInChI=1S/C12H15N3O4S/c1-18-8-9-19-11-4-2-10(3-5-11)15-20(16,17)12-6-7-13-14-12/h2-7,15H,8-9H2,1H3,(H,13,14)
InChIKeyTUKRKLZWGLUUEH-UHFFFAOYSA-N
MW297.34 g/mol
LogP1.24
Rot. Bonds7

About N-[4-(2-methoxyethoxy)phenyl]-1H-pyrazole-5-sulfonamide

N-[4-(2-methoxyethoxy)phenyl]-1H-pyrazole-5-sulfonamide (PubChem CID 102692703) has the molecular formula C12H15N3O4S and a molecular weight of 297.34 g/mol. Its IUPAC name is N-[4-(2-methoxyethoxy)phenyl]-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-[4-(2-methoxyethoxy)phenyl]-1H-pyrazole-5-sulfonamide
PubChem CID102692703
Molecular FormulaC12H15N3O4S
Molecular Weight297.34 g/mol
Exact Mass297.08
IUPAC NameN-[4-(2-methoxyethoxy)phenyl]-1H-pyrazole-5-sulfonamide
SMILESCOCCOc1ccc(NS(=O)(=O)c2ccn[nH]2)cc1
InChIInChI=1S/C12H15N3O4S/c1-18-8-9-19-11-4-2-10(3-5-11)15-20(16,17)12-6-7-13-14-12/h2-7,15H,8-9H2,1H3,(H,13,14)
InChIKeyTUKRKLZWGLUUEH-UHFFFAOYSA-N
XLogP1.24
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 51.24
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-[4-(methylamino)phenyl]-1H-pyrazole-5-sulfonamide
CID 102693540
N-[4-(2-methoxyethoxy)phenyl]benzenesulfonamide
CID 39874629
N-(4-ethylsulfonylphenyl)-1H-pyrazole-5-sulfonamide
CID 102692588
N-(4-tert-butylphenyl)-1H-pyrazole-5-sulfonamide
CID 102691460
1-(dimethylsulfamoylamino)-4-(2-methoxyethoxy)benzene
CID 110777028
3-[4-(1H-pyrazol-5-ylsulfonylamino)phenyl]butanoic acid
CID 102690958
N-(6-methylsulfonyl-3-pyridinyl)-1H-pyrazole-5-sulfonamide
CID 102692515
methyl 2-fluoro-5-(1H-pyrazol-5-ylsulfonylamino)benzoate
CID 102691734
4-(2-methoxyethoxy)-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 115631121
4-chloro-N-[4-(2-methoxyethoxy)phenyl]butane-1-sulfonamide
CID 116815790
N-(3,5-difluorophenyl)-1H-pyrazole-5-sulfonamide
CID 102691589
N-[1-(4-methylphenoxy)propan-2-yl]-1H-pyrazole-5-sulfonamide
CID 102692367

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methoxyethoxy)phenyl]-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-[4-(2-methoxyethoxy)phenyl]-1H-pyrazole-5-sulfonamide (CID 102692703) is N-[4-(2-methoxyethoxy)phenyl]-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-[4-(2-methoxyethoxy)phenyl]-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-[4-(2-methoxyethoxy)phenyl]-1H-pyrazole-5-sulfonamide is COCCOc1ccc(NS(=O)(=O)c2ccn[nH]2)cc1.
What is the InChIKey of N-[4-(2-methoxyethoxy)phenyl]-1H-pyrazole-5-sulfonamide?
The InChIKey is TUKRKLZWGLUUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4S/c1-18-8-9-19-11-4-2-10(3-5-11)15-20(16,17)12-6-7-13-14-12/h2-7,15H,8-9H2,1H3,(H,13,14).
What are the key properties of N-[4-(2-methoxyethoxy)phenyl]-1H-pyrazole-5-sulfonamide?
N-[4-(2-methoxyethoxy)phenyl]-1H-pyrazole-5-sulfonamide has a molecular weight of 297.34 g/mol, XLogP of 1.24, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methoxyethoxy)phenyl]-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102692703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).