4-(2-methoxyethoxy)-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide

C13H17N3O4S — CID 115631121

IUPAC4-(2-methoxyethoxy)-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
SMILESCOCCOc1ccc(S(=O)(=O)Nc2[nH]ncc2C)cc1
InChIInChI=1S/C13H17N3O4S/c1-10-9-14-15-13(10)16-21(17,18)12-5-3-11(4-6-12)20-8-7-19-2/h3-6,9H,7-8H2,1-2H3,(H2,14,15,16)
InChIKeyBAPCMTAMFXFZFB-UHFFFAOYSA-N
MW311.36 g/mol
LogP1.54
Rot. Bonds7

About 4-(2-methoxyethoxy)-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide

4-(2-methoxyethoxy)-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide (PubChem CID 115631121) has the molecular formula C13H17N3O4S and a molecular weight of 311.36 g/mol. Its IUPAC name is 4-(2-methoxyethoxy)-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-methoxyethoxy)-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
PubChem CID115631121
Molecular FormulaC13H17N3O4S
Molecular Weight311.36 g/mol
Exact Mass311.09
IUPAC Name4-(2-methoxyethoxy)-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
SMILESCOCCOc1ccc(S(=O)(=O)Nc2[nH]ncc2C)cc1
InChIInChI=1S/C13H17N3O4S/c1-10-9-14-15-13(10)16-21(17,18)12-5-3-11(4-6-12)20-8-7-19-2/h3-6,9H,7-8H2,1-2H3,(H2,14,15,16)
InChIKeyBAPCMTAMFXFZFB-UHFFFAOYSA-N
XLogP1.54
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 51.54
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

methyl 4-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]benzoate
CID 115631180
4-fluoro-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 112691515
4-(bromomethyl)-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 113433906
3,4-dimethyl-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 113237180
4-ethoxy-N-(4-ethyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 104620964
N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-4-(2-methoxyethoxy)benzenesulfonamide
CID 30867560
3-amino-4-methoxy-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 104617179
3-chloro-4-methoxy-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 112691520
N-(5-acetyl-2-pyridinyl)-4-(2-methoxyethoxy)benzenesulfonamide
CID 69401317
N-[4-(2-methoxyethoxy)phenyl]benzenesulfonamide
CID 39874629
4-chloro-N-[5-(2-methoxyethoxy)pyrimidin-2-yl]benzenesulfonamide
CID 71397348
N-tert-butyl-4-(2-methoxyethoxy)benzenesulfonamide
CID 35291114

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethoxy)-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide?
The IUPAC name of 4-(2-methoxyethoxy)-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide (CID 115631121) is 4-(2-methoxyethoxy)-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-(2-methoxyethoxy)-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide?
The canonical SMILES for 4-(2-methoxyethoxy)-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide is COCCOc1ccc(S(=O)(=O)Nc2[nH]ncc2C)cc1.
What is the InChIKey of 4-(2-methoxyethoxy)-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide?
The InChIKey is BAPCMTAMFXFZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4S/c1-10-9-14-15-13(10)16-21(17,18)12-5-3-11(4-6-12)20-8-7-19-2/h3-6,9H,7-8H2,1-2H3,(H2,14,15,16).
What are the key properties of 4-(2-methoxyethoxy)-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide?
4-(2-methoxyethoxy)-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide has a molecular weight of 311.36 g/mol, XLogP of 1.54, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethoxy)-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 115631121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).