2-(ethylamino)-N-(4-fluoro-2-iodophenyl)pyrimidine-5-sulfonamide

C12H12FIN4O2S — CID 79762345

IUPAC2-(ethylamino)-N-(4-fluoro-2-iodophenyl)pyrimidine-5-sulfonamide
SMILESCCNc1ncc(S(=O)(=O)Nc2ccc(F)cc2I)cn1
InChIInChI=1S/C12H12FIN4O2S/c1-2-15-12-16-6-9(7-17-12)21(19,20)18-11-4-3-8(13)5-10(11)14/h3-7,18H,2H2,1H3,(H,15,16,17)
InChIKeyYSIDJQNPSLCOME-UHFFFAOYSA-N
MW422.22 g/mol
LogP2.45
Rot. Bonds5

About 2-(ethylamino)-N-(4-fluoro-2-iodophenyl)pyrimidine-5-sulfonamide

2-(ethylamino)-N-(4-fluoro-2-iodophenyl)pyrimidine-5-sulfonamide (PubChem CID 79762345) has the molecular formula C12H12FIN4O2S and a molecular weight of 422.22 g/mol. Its IUPAC name is 2-(ethylamino)-N-(4-fluoro-2-iodophenyl)pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2-(ethylamino)-N-(4-fluoro-2-iodophenyl)pyrimidine-5-sulfonamide
PubChem CID79762345
Molecular FormulaC12H12FIN4O2S
Molecular Weight422.22 g/mol
Exact Mass421.97
IUPAC Name2-(ethylamino)-N-(4-fluoro-2-iodophenyl)pyrimidine-5-sulfonamide
SMILESCCNc1ncc(S(=O)(=O)Nc2ccc(F)cc2I)cn1
InChIInChI=1S/C12H12FIN4O2S/c1-2-15-12-16-6-9(7-17-12)21(19,20)18-11-4-3-8(13)5-10(11)14/h3-7,18H,2H2,1H3,(H,15,16,17)
InChIKeyYSIDJQNPSLCOME-UHFFFAOYSA-N
XLogP2.45
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.22
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(ethylamino)-N-(4-fluoro-2-iodophenyl)pyrimidine-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

2-(ethylamino)-N-(2-fluoro-5-methylphenyl)pyrimidine-5-sulfonamide
CID 62143379
N-(2,4-difluorophenyl)-2-(methylamino)pyrimidine-5-sulfonamide
CID 62143840
N-(5-bromo-2-methylphenyl)-2-(ethylamino)pyrimidine-5-sulfonamide
CID 62146677
2-(ethylamino)-N-(4-methylphenyl)pyrimidine-5-sulfonamide
CID 62144386
N-(4-fluoro-2-methylphenyl)-2-(methylamino)pyrimidine-5-sulfonamide
CID 62144203
N-(4-fluoro-2-iodophenyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 106071507
N-(4-fluoro-2-iodophenyl)-2-methylpropane-2-sulfonamide
CID 79767137
N-(3-chloro-4-fluorophenyl)-2-(ethylamino)pyrimidine-5-sulfonamide
CID 62144758
3,4-difluoro-N-(4-fluoro-2-iodophenyl)benzenesulfonamide
CID 79766974
4-(bromomethyl)-N-(4-fluoro-2-iodophenyl)benzenesulfonamide
CID 79771301
N-(4-chloro-2-iodophenyl)-2-(methylamino)pyrimidine-5-sulfonamide
CID 107630680
N-(2-chloro-5-fluorophenyl)-6-(ethylamino)pyridine-3-sulfonamide
CID 107531127

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-(4-fluoro-2-iodophenyl)pyrimidine-5-sulfonamide?
The IUPAC name of 2-(ethylamino)-N-(4-fluoro-2-iodophenyl)pyrimidine-5-sulfonamide (CID 79762345) is 2-(ethylamino)-N-(4-fluoro-2-iodophenyl)pyrimidine-5-sulfonamide.
What is the SMILES notation for 2-(ethylamino)-N-(4-fluoro-2-iodophenyl)pyrimidine-5-sulfonamide?
The canonical SMILES for 2-(ethylamino)-N-(4-fluoro-2-iodophenyl)pyrimidine-5-sulfonamide is CCNc1ncc(S(=O)(=O)Nc2ccc(F)cc2I)cn1.
What is the InChIKey of 2-(ethylamino)-N-(4-fluoro-2-iodophenyl)pyrimidine-5-sulfonamide?
The InChIKey is YSIDJQNPSLCOME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FIN4O2S/c1-2-15-12-16-6-9(7-17-12)21(19,20)18-11-4-3-8(13)5-10(11)14/h3-7,18H,2H2,1H3,(H,15,16,17).
What are the key properties of 2-(ethylamino)-N-(4-fluoro-2-iodophenyl)pyrimidine-5-sulfonamide?
2-(ethylamino)-N-(4-fluoro-2-iodophenyl)pyrimidine-5-sulfonamide has a molecular weight of 422.22 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-(4-fluoro-2-iodophenyl)pyrimidine-5-sulfonamide is sourced from PubChem (CID 79762345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).