4-chloro-N-(5-iodo-2-pyridinyl)-1-methylpyrazole-5-sulfonamide

C9H8ClIN4O2S — CID 106314666

IUPAC4-chloro-N-(5-iodo-2-pyridinyl)-1-methylpyrazole-5-sulfonamide
SMILESCn1ncc(Cl)c1S(=O)(=O)Nc1ccc(I)cn1
InChIInChI=1S/C9H8ClIN4O2S/c1-15-9(7(10)5-13-15)18(16,17)14-8-3-2-6(11)4-12-8/h2-5H,1H3,(H,12,14)
InChIKeyDFARKFPZGHXWFB-UHFFFAOYSA-N
MW398.61 g/mol
LogP1.87
Rot. Bonds3

About 4-chloro-N-(5-iodo-2-pyridinyl)-1-methylpyrazole-5-sulfonamide

4-chloro-N-(5-iodo-2-pyridinyl)-1-methylpyrazole-5-sulfonamide (PubChem CID 106314666) has the molecular formula C9H8ClIN4O2S and a molecular weight of 398.61 g/mol. Its IUPAC name is 4-chloro-N-(5-iodo-2-pyridinyl)-1-methylpyrazole-5-sulfonamide.

Molecular Properties

Compound Name4-chloro-N-(5-iodo-2-pyridinyl)-1-methylpyrazole-5-sulfonamide
PubChem CID106314666
Molecular FormulaC9H8ClIN4O2S
Molecular Weight398.61 g/mol
Exact Mass397.91
IUPAC Name4-chloro-N-(5-iodo-2-pyridinyl)-1-methylpyrazole-5-sulfonamide
SMILESCn1ncc(Cl)c1S(=O)(=O)Nc1ccc(I)cn1
InChIInChI=1S/C9H8ClIN4O2S/c1-15-9(7(10)5-13-15)18(16,17)14-8-3-2-6(11)4-12-8/h2-5H,1H3,(H,12,14)
InChIKeyDFARKFPZGHXWFB-UHFFFAOYSA-N
XLogP1.87
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.61
LogP ≤ 51.87
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

4-chloro-N-(4-cyanophenyl)-1-methylpyrazole-5-sulfonamide
CID 106139096
N-(5-iodo-2-pyridinyl)-1,2-dimethylimidazole-4-sulfonamide
CID 65098713
4-chloro-N-(5,6-dichloropyrimidin-4-yl)-1-methylpyrazole-5-sulfonamide
CID 106316289
N-(5-amino-2-chlorophenyl)-4-chloro-1-methylpyrazole-5-sulfonamide
CID 106313783
4-chloro-N-(2-iodoethyl)-1-methylpyrazole-5-sulfonamide
CID 106316125
4-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-N'-hydroxybenzenecarboximidamide
CID 106315690
N-(4-bromo-2-methylphenyl)-4-chloro-1-methylpyrazole-5-sulfonamide
CID 106139139
4-chloro-N-(3-hydroxyphenyl)-1-methylpyrazole-5-sulfonamide
CID 106139079
2-(dimethylsulfamoylamino)-5-iodopyridine
CID 65100815
4-chloro-N-(4-hydroxy-2-methylphenyl)-1-methylpyrazole-5-sulfonamide
CID 106147360
4-chloro-N-[2-(hydroxymethyl)phenyl]-1-methylpyrazole-5-sulfonamide
CID 106314873
2,5-dichloro-N-(5-iodo-2-pyridinyl)thiophene-3-sulfonamide
CID 65100563

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(5-iodo-2-pyridinyl)-1-methylpyrazole-5-sulfonamide?
The IUPAC name of 4-chloro-N-(5-iodo-2-pyridinyl)-1-methylpyrazole-5-sulfonamide (CID 106314666) is 4-chloro-N-(5-iodo-2-pyridinyl)-1-methylpyrazole-5-sulfonamide.
What is the SMILES notation for 4-chloro-N-(5-iodo-2-pyridinyl)-1-methylpyrazole-5-sulfonamide?
The canonical SMILES for 4-chloro-N-(5-iodo-2-pyridinyl)-1-methylpyrazole-5-sulfonamide is Cn1ncc(Cl)c1S(=O)(=O)Nc1ccc(I)cn1.
What is the InChIKey of 4-chloro-N-(5-iodo-2-pyridinyl)-1-methylpyrazole-5-sulfonamide?
The InChIKey is DFARKFPZGHXWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClIN4O2S/c1-15-9(7(10)5-13-15)18(16,17)14-8-3-2-6(11)4-12-8/h2-5H,1H3,(H,12,14).
What are the key properties of 4-chloro-N-(5-iodo-2-pyridinyl)-1-methylpyrazole-5-sulfonamide?
4-chloro-N-(5-iodo-2-pyridinyl)-1-methylpyrazole-5-sulfonamide has a molecular weight of 398.61 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(5-iodo-2-pyridinyl)-1-methylpyrazole-5-sulfonamide is sourced from PubChem (CID 106314666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).