N-(2,2-diethoxyethyl)-3-methyl-1-phenylpyrazole-4-sulfonamide

C16H23N3O4S — CID 42283238

IUPACN-(2,2-diethoxyethyl)-3-methyl-1-phenylpyrazole-4-sulfonamide
SMILESCCOC(CNS(=O)(=O)c1cn(-c2ccccc2)nc1C)OCC
InChIInChI=1S/C16H23N3O4S/c1-4-22-16(23-5-2)11-17-24(20,21)15-12-19(18-13(15)3)14-9-7-6-8-10-14/h6-10,12,16-17H,4-5,11H2,1-3H3
InChIKeyLVYOJNRWNFWBDG-UHFFFAOYSA-N
MW353.44 g/mol
LogP1.86
Rot. Bonds9

About N-(2,2-diethoxyethyl)-3-methyl-1-phenylpyrazole-4-sulfonamide

N-(2,2-diethoxyethyl)-3-methyl-1-phenylpyrazole-4-sulfonamide (PubChem CID 42283238) has the molecular formula C16H23N3O4S and a molecular weight of 353.44 g/mol. Its IUPAC name is N-(2,2-diethoxyethyl)-3-methyl-1-phenylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2,2-diethoxyethyl)-3-methyl-1-phenylpyrazole-4-sulfonamide
PubChem CID42283238
Molecular FormulaC16H23N3O4S
Molecular Weight353.44 g/mol
Exact Mass353.14
IUPAC NameN-(2,2-diethoxyethyl)-3-methyl-1-phenylpyrazole-4-sulfonamide
SMILESCCOC(CNS(=O)(=O)c1cn(-c2ccccc2)nc1C)OCC
InChIInChI=1S/C16H23N3O4S/c1-4-22-16(23-5-2)11-17-24(20,21)15-12-19(18-13(15)3)14-9-7-6-8-10-14/h6-10,12,16-17H,4-5,11H2,1-3H3
InChIKeyLVYOJNRWNFWBDG-UHFFFAOYSA-N
XLogP1.86
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 164889283
N-butan-2-yl-4-pyrazol-1-ylbenzenesulfonamide
CID 6624887
N-(oxolan-2-ylmethyl)-4-pyrazol-1-ylbenzenesulfonamide
CID 6624918
N-(2-fluorophenyl)-3-methyl-1-phenylpyrazole-4-sulfonamide
CID 42283317
N-(3-fluorophenyl)-3-methyl-1-phenylpyrazole-4-sulfonamide
CID 42283318
N-(4-fluorophenyl)-3-methyl-1-phenylpyrazole-4-sulfonamide
CID 42283319
1-(4-fluorophenyl)-N-(2-methoxyethyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 53075841
Ethyl 4-[[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]sulfonylamino]butanoate
CID 71854643
1-(2-fluorophenyl)-N-(1-methoxybutan-2-yl)pyrazole-4-sulfonamide
CID 72120358
1-(4-fluorophenyl)-N-(2-methoxy-2-methylpropyl)-5-methylpyrazole-4-sulfonamide
CID 75379075
1-(4-fluorophenyl)-N,5-dimethylpyrazole-4-sulfonamide
CID 84586920
1-(2-fluorophenyl)-N-[(2S)-1-methoxybutan-2-yl]pyrazole-4-sulfonamide
CID 96104657

Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethoxyethyl)-3-methyl-1-phenylpyrazole-4-sulfonamide?
The IUPAC name of N-(2,2-diethoxyethyl)-3-methyl-1-phenylpyrazole-4-sulfonamide (CID 42283238) is N-(2,2-diethoxyethyl)-3-methyl-1-phenylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(2,2-diethoxyethyl)-3-methyl-1-phenylpyrazole-4-sulfonamide?
The canonical SMILES for N-(2,2-diethoxyethyl)-3-methyl-1-phenylpyrazole-4-sulfonamide is CCOC(CNS(=O)(=O)c1cn(-c2ccccc2)nc1C)OCC.
What is the InChIKey of N-(2,2-diethoxyethyl)-3-methyl-1-phenylpyrazole-4-sulfonamide?
The InChIKey is LVYOJNRWNFWBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4S/c1-4-22-16(23-5-2)11-17-24(20,21)15-12-19(18-13(15)3)14-9-7-6-8-10-14/h6-10,12,16-17H,4-5,11H2,1-3H3.
What are the key properties of N-(2,2-diethoxyethyl)-3-methyl-1-phenylpyrazole-4-sulfonamide?
N-(2,2-diethoxyethyl)-3-methyl-1-phenylpyrazole-4-sulfonamide has a molecular weight of 353.44 g/mol, XLogP of 1.86, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethoxyethyl)-3-methyl-1-phenylpyrazole-4-sulfonamide is sourced from PubChem (CID 42283238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).