4-chloro-N-(2-iodoethyl)-1-methylpyrazole-5-sulfonamide

C6H9ClIN3O2S — CID 106316125

IUPAC4-chloro-N-(2-iodoethyl)-1-methylpyrazole-5-sulfonamide
SMILESCn1ncc(Cl)c1S(=O)(=O)NCCI
InChIInChI=1S/C6H9ClIN3O2S/c1-11-6(5(7)4-9-11)14(12,13)10-3-2-8/h4,10H,2-3H2,1H3
InChIKeyBROIVPGZKLOSGC-UHFFFAOYSA-N
MW349.58 g/mol
LogP0.79
Rot. Bonds4

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

4-chloro-N-(2-iodoethyl)-1-methylpyrazole-5-sulfonamide (PubChem CID 106316125) has the molecular formula C6H9ClIN3O2S and a molecular weight of 349.58 g/mol. Its IUPAC name is 4-chloro-N-(2-iodoethyl)-1-methylpyrazole-5-sulfonamide.

Molecular Properties

Compound Name4-chloro-N-(2-iodoethyl)-1-methylpyrazole-5-sulfonamide
PubChem CID106316125
Molecular FormulaC6H9ClIN3O2S
Molecular Weight349.58 g/mol
Exact Mass348.91
IUPAC Name4-chloro-N-(2-iodoethyl)-1-methylpyrazole-5-sulfonamide
SMILESCn1ncc(Cl)c1S(=O)(=O)NCCI
InChIInChI=1S/C6H9ClIN3O2S/c1-11-6(5(7)4-9-11)14(12,13)10-3-2-8/h4,10H,2-3H2,1H3
InChIKeyBROIVPGZKLOSGC-UHFFFAOYSA-N
XLogP0.79
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.58
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-chloro-N-(2-iodoethyl)-1-methylpyrazole-5-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

4-chloro-N-[2-(2-methoxyethylamino)ethyl]-1-methylpyrazole-5-sulfonamide
CID 114172502
4-chloro-N-(4-cyanobutyl)-1-methylpyrazole-5-sulfonamide
CID 106150633
4-chloro-N-(3-hydroxy-2,2-dimethylpropyl)-1-methylpyrazole-5-sulfonamide
CID 114150470
N-(3-bromo-2-methylpropyl)-4-chloro-1-methylpyrazole-5-sulfonamide
CID 106316093
methyl 3-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-2-iodopropanoate
CID 114172625
4-chloro-1-methyl-N-(2-pyrrolidin-2-ylethyl)pyrazole-5-sulfonamide
CID 106315491
4-chloro-N-[(3-chlorocyclobutyl)methyl]-1-methylpyrazole-5-sulfonamide
CID 106315973
4-chloro-N-[(4-hydroxyphenyl)methyl]-1-methylpyrazole-5-sulfonamide
CID 106150671
4-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-methylpyrazole-5-sulfonamide
CID 106150783
4-chloro-1-methyl-N-(2-piperidin-4-yloxyethyl)pyrazole-5-sulfonamide
CID 106315276
6-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-4-ethylhexanoic acid
CID 106314106
4-chloro-N-[(1-hydroxycyclohexyl)methyl]-1-methylpyrazole-5-sulfonamide
CID 106150690

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-iodoethyl)-1-methylpyrazole-5-sulfonamide?
The IUPAC name of 4-chloro-N-(2-iodoethyl)-1-methylpyrazole-5-sulfonamide (CID 106316125) is 4-chloro-N-(2-iodoethyl)-1-methylpyrazole-5-sulfonamide.
What is the SMILES notation for 4-chloro-N-(2-iodoethyl)-1-methylpyrazole-5-sulfonamide?
The canonical SMILES for 4-chloro-N-(2-iodoethyl)-1-methylpyrazole-5-sulfonamide is Cn1ncc(Cl)c1S(=O)(=O)NCCI.
What is the InChIKey of 4-chloro-N-(2-iodoethyl)-1-methylpyrazole-5-sulfonamide?
The InChIKey is BROIVPGZKLOSGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClIN3O2S/c1-11-6(5(7)4-9-11)14(12,13)10-3-2-8/h4,10H,2-3H2,1H3.
What are the key properties of 4-chloro-N-(2-iodoethyl)-1-methylpyrazole-5-sulfonamide?
4-chloro-N-(2-iodoethyl)-1-methylpyrazole-5-sulfonamide has a molecular weight of 349.58 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-iodoethyl)-1-methylpyrazole-5-sulfonamide is sourced from PubChem (CID 106316125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).