4-ethyl-N-(2-iodophenyl)sulfonyl-3,4-dihydropyrazole-2-carboxamide

C12H14IN3O3S — CID 70880681

IUPAC4-ethyl-N-(2-iodophenyl)sulfonyl-3,4-dihydropyrazole-2-carboxamide
SMILESCCC1C=NN(C(=O)NS(=O)(=O)c2ccccc2I)C1
InChIInChI=1S/C12H14IN3O3S/c1-2-9-7-14-16(8-9)12(17)15-20(18,19)11-6-4-3-5-10(11)13/h3-7,9H,2,8H2,1H3,(H,15,17)
InChIKeyOODJZMNETSCCDL-UHFFFAOYSA-N
MW407.23 g/mol
LogP2.02
Rot. Bonds3

About 4-ethyl-N-(2-iodophenyl)sulfonyl-3,4-dihydropyrazole-2-carboxamide

4-ethyl-N-(2-iodophenyl)sulfonyl-3,4-dihydropyrazole-2-carboxamide (PubChem CID 70880681) has the molecular formula C12H14IN3O3S and a molecular weight of 407.23 g/mol. Its IUPAC name is 4-ethyl-N-(2-iodophenyl)sulfonyl-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-(2-iodophenyl)sulfonyl-3,4-dihydropyrazole-2-carboxamide
PubChem CID70880681
Molecular FormulaC12H14IN3O3S
Molecular Weight407.23 g/mol
Exact Mass406.98
IUPAC Name4-ethyl-N-(2-iodophenyl)sulfonyl-3,4-dihydropyrazole-2-carboxamide
SMILESCCC1C=NN(C(=O)NS(=O)(=O)c2ccccc2I)C1
InChIInChI=1S/C12H14IN3O3S/c1-2-9-7-14-16(8-9)12(17)15-20(18,19)11-6-4-3-5-10(11)13/h3-7,9H,2,8H2,1H3,(H,15,17)
InChIKeyOODJZMNETSCCDL-UHFFFAOYSA-N
XLogP2.02
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.23
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-N-(2-methylphenyl)sulfonyl-3,4-dihydropyrazole-2-carboxamide
CID 23050887
N-(2,3-dichlorophenyl)sulfonyl-4-ethyl-3,4-dihydropyrazole-2-carboxamide
CID 23050829
1-(2-iodophenyl)sulfonyl-3-propylurea
CID 18987809
N-(2-ethylsulfanylphenyl)sulfonyl-3,4-dihydropyrazole-2-carboxamide
CID 23050800
N-ethyl-2-iodobenzenesulfonamide
CID 626580
N-(4-cyanophenyl)sulfonyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide
CID 68823873
N-(2-hydroxypropyl)-2-iodobenzenesulfonamide
CID 167755132
methyl 2-[(5-ethyl-3,4-dihydropyrazole-2-carbonyl)sulfamoyl]benzoate
CID 23050801
2,3,5-triiodo-N-(2-iodophenyl)sulfonylbenzamide
CID 152996078
N-(1,3-benzothiazol-6-ylsulfonyl)-N',4-diethyl-3,4-dihydropyrazole-2-carboximidamide
CID 59339452
2-(2-chlorophenyl)-N-(2-iodophenyl)sulfonyl-1-methylimidazole-4-carboxamide
CID 155116564
5,5-dimethyl-N-(2-methylphenyl)sulfonyl-4H-pyrazole-1-carboxamide
CID 23050778

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(2-iodophenyl)sulfonyl-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of 4-ethyl-N-(2-iodophenyl)sulfonyl-3,4-dihydropyrazole-2-carboxamide (CID 70880681) is 4-ethyl-N-(2-iodophenyl)sulfonyl-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for 4-ethyl-N-(2-iodophenyl)sulfonyl-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for 4-ethyl-N-(2-iodophenyl)sulfonyl-3,4-dihydropyrazole-2-carboxamide is CCC1C=NN(C(=O)NS(=O)(=O)c2ccccc2I)C1.
What is the InChIKey of 4-ethyl-N-(2-iodophenyl)sulfonyl-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is OODJZMNETSCCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14IN3O3S/c1-2-9-7-14-16(8-9)12(17)15-20(18,19)11-6-4-3-5-10(11)13/h3-7,9H,2,8H2,1H3,(H,15,17).
What are the key properties of 4-ethyl-N-(2-iodophenyl)sulfonyl-3,4-dihydropyrazole-2-carboxamide?
4-ethyl-N-(2-iodophenyl)sulfonyl-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 407.23 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(2-iodophenyl)sulfonyl-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 70880681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).