N-(4-chloro-2-iodophenyl)-3-(ethylamino)pyridine-2-sulfonamide

C13H13ClIN3O2S — CID 107630627

IUPACN-(4-chloro-2-iodophenyl)-3-(ethylamino)pyridine-2-sulfonamide
SMILESCCNc1cccnc1S(=O)(=O)Nc1ccc(Cl)cc1I
InChIInChI=1S/C13H13ClIN3O2S/c1-2-16-12-4-3-7-17-13(12)21(19,20)18-11-6-5-9(14)8-10(11)15/h3-8,16,18H,2H2,1H3
InChIKeyXGSPYSTUYYEGAZ-UHFFFAOYSA-N
MW437.69 g/mol
LogP3.57
Rot. Bonds5

About N-(4-chloro-2-iodophenyl)-3-(ethylamino)pyridine-2-sulfonamide

N-(4-chloro-2-iodophenyl)-3-(ethylamino)pyridine-2-sulfonamide (PubChem CID 107630627) has the molecular formula C13H13ClIN3O2S and a molecular weight of 437.69 g/mol. Its IUPAC name is N-(4-chloro-2-iodophenyl)-3-(ethylamino)pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-(4-chloro-2-iodophenyl)-3-(ethylamino)pyridine-2-sulfonamide
PubChem CID107630627
Molecular FormulaC13H13ClIN3O2S
Molecular Weight437.69 g/mol
Exact Mass436.95
IUPAC NameN-(4-chloro-2-iodophenyl)-3-(ethylamino)pyridine-2-sulfonamide
SMILESCCNc1cccnc1S(=O)(=O)Nc1ccc(Cl)cc1I
InChIInChI=1S/C13H13ClIN3O2S/c1-2-16-12-4-3-7-17-13(12)21(19,20)18-11-6-5-9(14)8-10(11)15/h3-8,16,18H,2H2,1H3
InChIKeyXGSPYSTUYYEGAZ-UHFFFAOYSA-N
XLogP3.57
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.69
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chloro-2-iodophenyl)-2-(ethylamino)pyridine-3-sulfonamide
CID 107630667
N-(2,4-difluorophenyl)-3-(ethylamino)pyridine-2-sulfonamide
CID 103304014
N-(2-bromophenyl)-3-(ethylamino)pyridine-2-sulfonamide
CID 103303927
N-(3-chloro-4-methylphenyl)-3-(ethylamino)pyridine-2-sulfonamide
CID 103303101
3-(ethylamino)-N-(2-methylsulfanylphenyl)pyridine-2-sulfonamide
CID 107642917
N-(4-chloro-2-iodophenyl)-2-hydrazinylpyridine-3-sulfonamide
CID 107626569
3-[(4-chloro-2-iodophenyl)sulfamoyl]pyridine-2-carbothioamide
CID 107626085
N-(3-bromo-2-pyridinyl)-3-(ethylamino)pyridine-2-sulfonamide
CID 103306363
N-(5-bromo-4-methyl-2-pyridinyl)-3-(ethylamino)pyridine-2-sulfonamide
CID 103306497
N-(5-chloro-2-methoxyphenyl)-3-(methylamino)pyridine-2-sulfonamide
CID 103303356
3-(ethylamino)-N-(6-methyl-2-pyridinyl)pyridine-2-sulfonamide
CID 103303472
N-(5-chloro-2-ethoxyphenyl)-3-fluoropyridine-2-sulfonamide
CID 103299319

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-iodophenyl)-3-(ethylamino)pyridine-2-sulfonamide?
The IUPAC name of N-(4-chloro-2-iodophenyl)-3-(ethylamino)pyridine-2-sulfonamide (CID 107630627) is N-(4-chloro-2-iodophenyl)-3-(ethylamino)pyridine-2-sulfonamide.
What is the SMILES notation for N-(4-chloro-2-iodophenyl)-3-(ethylamino)pyridine-2-sulfonamide?
The canonical SMILES for N-(4-chloro-2-iodophenyl)-3-(ethylamino)pyridine-2-sulfonamide is CCNc1cccnc1S(=O)(=O)Nc1ccc(Cl)cc1I.
What is the InChIKey of N-(4-chloro-2-iodophenyl)-3-(ethylamino)pyridine-2-sulfonamide?
The InChIKey is XGSPYSTUYYEGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClIN3O2S/c1-2-16-12-4-3-7-17-13(12)21(19,20)18-11-6-5-9(14)8-10(11)15/h3-8,16,18H,2H2,1H3.
What are the key properties of N-(4-chloro-2-iodophenyl)-3-(ethylamino)pyridine-2-sulfonamide?
N-(4-chloro-2-iodophenyl)-3-(ethylamino)pyridine-2-sulfonamide has a molecular weight of 437.69 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-iodophenyl)-3-(ethylamino)pyridine-2-sulfonamide is sourced from PubChem (CID 107630627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).