3-amino-N-(4-chloro-2-iodophenyl)-1-propylpyrazole-4-sulfonamide

C12H14ClIN4O2S — CID 107624592

IUPAC3-amino-N-(4-chloro-2-iodophenyl)-1-propylpyrazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)Nc2ccc(Cl)cc2I)c(N)n1
InChIInChI=1S/C12H14ClIN4O2S/c1-2-5-18-7-11(12(15)16-18)21(19,20)17-10-4-3-8(13)6-9(10)14/h3-4,6-7,17H,2,5H2,1H3,(H2,15,16)
InChIKeyPJYBIRDLMZFLPY-UHFFFAOYSA-N
MW440.69 g/mol
LogP2.93
Rot. Bonds5

About 3-amino-N-(4-chloro-2-iodophenyl)-1-propylpyrazole-4-sulfonamide

3-amino-N-(4-chloro-2-iodophenyl)-1-propylpyrazole-4-sulfonamide (PubChem CID 107624592) has the molecular formula C12H14ClIN4O2S and a molecular weight of 440.69 g/mol. Its IUPAC name is 3-amino-N-(4-chloro-2-iodophenyl)-1-propylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-(4-chloro-2-iodophenyl)-1-propylpyrazole-4-sulfonamide
PubChem CID107624592
Molecular FormulaC12H14ClIN4O2S
Molecular Weight440.69 g/mol
Exact Mass439.96
IUPAC Name3-amino-N-(4-chloro-2-iodophenyl)-1-propylpyrazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)Nc2ccc(Cl)cc2I)c(N)n1
InChIInChI=1S/C12H14ClIN4O2S/c1-2-5-18-7-11(12(15)16-18)21(19,20)17-10-4-3-8(13)6-9(10)14/h3-4,6-7,17H,2,5H2,1H3,(H2,15,16)
InChIKeyPJYBIRDLMZFLPY-UHFFFAOYSA-N
XLogP2.93
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.69
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-amino-N-(4-chloro-2-iodophenyl)-1-propylpyrazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-N-(4-chloro-2-fluorophenyl)-1-propylpyrazole-4-sulfonamide
CID 61110443
3-amino-N-(2-chloro-4-fluorophenyl)-1-propylpyrazole-4-sulfonamide
CID 60808125
3-amino-N-(2,4-dimethylphenyl)-1-propylpyrazole-4-sulfonamide
CID 60814863
3-amino-N-(3,4-difluorophenyl)-1-propylpyrazole-4-sulfonamide
CID 60813521
3-amino-N-(2-methylphenyl)-1-propylpyrazole-4-sulfonamide
CID 60808427
3-amino-N-(2-methoxyphenyl)-1-propylpyrazole-4-sulfonamide
CID 60810232
3-amino-N-(3-chloro-5-fluorophenyl)-1-propylpyrazole-4-sulfonamide
CID 107363544
3-amino-N-(2-chloropyrimidin-4-yl)-1-propylpyrazole-4-sulfonamide
CID 116794715
3-amino-N-(2,5-dimethylpyrazol-3-yl)-1-propylpyrazole-4-sulfonamide
CID 60813517
3-amino-N-(2-methyl-4-pyridinyl)-1-propylpyrazole-4-sulfonamide
CID 79234839
N-(4-chloro-2-iodophenyl)-1-methylimidazole-4-sulfonamide
CID 103763973
3-amino-N-(3-methyl-1,2-oxazol-5-yl)-1-propylpyrazole-4-sulfonamide
CID 54922469

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-chloro-2-iodophenyl)-1-propylpyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N-(4-chloro-2-iodophenyl)-1-propylpyrazole-4-sulfonamide (CID 107624592) is 3-amino-N-(4-chloro-2-iodophenyl)-1-propylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N-(4-chloro-2-iodophenyl)-1-propylpyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N-(4-chloro-2-iodophenyl)-1-propylpyrazole-4-sulfonamide is CCCn1cc(S(=O)(=O)Nc2ccc(Cl)cc2I)c(N)n1.
What is the InChIKey of 3-amino-N-(4-chloro-2-iodophenyl)-1-propylpyrazole-4-sulfonamide?
The InChIKey is PJYBIRDLMZFLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClIN4O2S/c1-2-5-18-7-11(12(15)16-18)21(19,20)17-10-4-3-8(13)6-9(10)14/h3-4,6-7,17H,2,5H2,1H3,(H2,15,16).
What are the key properties of 3-amino-N-(4-chloro-2-iodophenyl)-1-propylpyrazole-4-sulfonamide?
3-amino-N-(4-chloro-2-iodophenyl)-1-propylpyrazole-4-sulfonamide has a molecular weight of 440.69 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-chloro-2-iodophenyl)-1-propylpyrazole-4-sulfonamide is sourced from PubChem (CID 107624592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).