1-ethyl-N-(4-iodo-3-methyl-2-pyridinyl)pyrazole-4-sulfonamide

C11H13IN4O2S — CID 126841204

IUPAC1-ethyl-N-(4-iodo-3-methyl-2-pyridinyl)pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2nccc(I)c2C)cn1
InChIInChI=1S/C11H13IN4O2S/c1-3-16-7-9(6-14-16)19(17,18)15-11-8(2)10(12)4-5-13-11/h4-7H,3H2,1-2H3,(H,13,15)
InChIKeyMWDMFAYUMIHXOO-UHFFFAOYSA-N
MW392.22 g/mol
LogP2.01
Rot. Bonds4

About 1-ethyl-N-(4-iodo-3-methyl-2-pyridinyl)pyrazole-4-sulfonamide

1-ethyl-N-(4-iodo-3-methyl-2-pyridinyl)pyrazole-4-sulfonamide (PubChem CID 126841204) has the molecular formula C11H13IN4O2S and a molecular weight of 392.22 g/mol. Its IUPAC name is 1-ethyl-N-(4-iodo-3-methyl-2-pyridinyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-(4-iodo-3-methyl-2-pyridinyl)pyrazole-4-sulfonamide
PubChem CID126841204
Molecular FormulaC11H13IN4O2S
Molecular Weight392.22 g/mol
Exact Mass391.98
IUPAC Name1-ethyl-N-(4-iodo-3-methyl-2-pyridinyl)pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2nccc(I)c2C)cn1
InChIInChI=1S/C11H13IN4O2S/c1-3-16-7-9(6-14-16)19(17,18)15-11-8(2)10(12)4-5-13-11/h4-7H,3H2,1-2H3,(H,13,15)
InChIKeyMWDMFAYUMIHXOO-UHFFFAOYSA-N
XLogP2.01
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.22
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-bromo-4-methyl-2-pyridinyl)-1-ethylpyrazole-4-sulfonamide
CID 126837841
1-ethyl-N-[4-(ethylsulfamoyl)phenyl]pyrazole-4-sulfonamide
CID 22203400
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1-ethylpyrazole-4-sulfonamide
CID 19683725
N-[2,6-di(propan-2-yl)phenyl]-1-ethylpyrazole-4-sulfonamide
CID 19684001
1-ethyl-N-thiophen-3-ylpyrazole-4-sulfonamide
CID 71998246
1-ethyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide
CID 19684607
N-[2-(difluoromethoxy)-4-methylphenyl]-1-ethylpyrazole-4-sulfonamide
CID 22206076
1-ethyl-N-(pyridin-4-ylmethyl)pyrazole-4-sulfonamide
CID 19683256
1-ethyl-N-([1,2,4]triazolo[1,5-a]pyridin-8-yl)pyrazole-4-sulfonamide
CID 53190705
N-[3-chloro-2-(hydroxymethyl)-6-methylphenyl]-1-ethylpyrazole-4-sulfonamide
CID 167927169
1-ethyl-N-[1-(4-fluorophenyl)-5-methylpyrazol-3-yl]pyrazole-4-sulfonamide
CID 84597084
N-(1H-benzimidazol-4-yl)-1-ethylpyrazole-4-sulfonamide
CID 71998050

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(4-iodo-3-methyl-2-pyridinyl)pyrazole-4-sulfonamide?
The IUPAC name of 1-ethyl-N-(4-iodo-3-methyl-2-pyridinyl)pyrazole-4-sulfonamide (CID 126841204) is 1-ethyl-N-(4-iodo-3-methyl-2-pyridinyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-N-(4-iodo-3-methyl-2-pyridinyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-N-(4-iodo-3-methyl-2-pyridinyl)pyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)Nc2nccc(I)c2C)cn1.
What is the InChIKey of 1-ethyl-N-(4-iodo-3-methyl-2-pyridinyl)pyrazole-4-sulfonamide?
The InChIKey is MWDMFAYUMIHXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13IN4O2S/c1-3-16-7-9(6-14-16)19(17,18)15-11-8(2)10(12)4-5-13-11/h4-7H,3H2,1-2H3,(H,13,15).
What are the key properties of 1-ethyl-N-(4-iodo-3-methyl-2-pyridinyl)pyrazole-4-sulfonamide?
1-ethyl-N-(4-iodo-3-methyl-2-pyridinyl)pyrazole-4-sulfonamide has a molecular weight of 392.22 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(4-iodo-3-methyl-2-pyridinyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 126841204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).