N-(2-iodophenyl)-2-(propylamino)pyridine-3-sulfonamide

C14H16IN3O2S — CID 62144258

IUPACN-(2-iodophenyl)-2-(propylamino)pyridine-3-sulfonamide
SMILESCCCNc1ncccc1S(=O)(=O)Nc1ccccc1I
InChIInChI=1S/C14H16IN3O2S/c1-2-9-16-14-13(8-5-10-17-14)21(19,20)18-12-7-4-3-6-11(12)15/h3-8,10,18H,2,9H2,1H3,(H,16,17)
InChIKeySULPZRYBPDNALI-UHFFFAOYSA-N
MW417.27 g/mol
LogP3.31
Rot. Bonds6

About N-(2-iodophenyl)-2-(propylamino)pyridine-3-sulfonamide

N-(2-iodophenyl)-2-(propylamino)pyridine-3-sulfonamide (PubChem CID 62144258) has the molecular formula C14H16IN3O2S and a molecular weight of 417.27 g/mol. Its IUPAC name is N-(2-iodophenyl)-2-(propylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(2-iodophenyl)-2-(propylamino)pyridine-3-sulfonamide
PubChem CID62144258
Molecular FormulaC14H16IN3O2S
Molecular Weight417.27 g/mol
Exact Mass417.00
IUPAC NameN-(2-iodophenyl)-2-(propylamino)pyridine-3-sulfonamide
SMILESCCCNc1ncccc1S(=O)(=O)Nc1ccccc1I
InChIInChI=1S/C14H16IN3O2S/c1-2-9-16-14-13(8-5-10-17-14)21(19,20)18-12-7-4-3-6-11(12)15/h3-8,10,18H,2,9H2,1H3,(H,16,17)
InChIKeySULPZRYBPDNALI-UHFFFAOYSA-N
XLogP3.31
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.27
LogP ≤ 53.31
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-(3-chloro-2-pyridinyl)-2-(propylamino)pyridine-3-sulfonamide
CID 103094788
2-(ethylamino)-N-(2-methyl-3-pyridinyl)pyridine-3-sulfonamide
CID 79043589
N-(4-chloro-2-iodophenyl)-2-(ethylamino)pyridine-3-sulfonamide
CID 107630667
N-(2-iodophenyl)-6-(propylamino)pyridine-3-sulfonamide
CID 62143908
N-(2-methyl-4-pyridinyl)-2-(propylamino)pyridine-3-sulfonamide
CID 79233082
N-(3-methylphenyl)-2-(propylamino)pyridine-3-sulfonamide
CID 62149101
N-(5-fluoro-2-pyridinyl)-2-(propylamino)pyridine-3-sulfonamide
CID 65480888
N-(1,2-oxazol-4-yl)-2-(propylamino)pyridine-3-sulfonamide
CID 62915805
N-(2-iodophenyl)quinoline-5-sulfonamide
CID 115601110
N-(2-ethylphenyl)-2-(methylamino)pyridine-3-sulfonamide
CID 62144368
N-(2-cyanophenyl)-2-(ethylamino)pyridine-3-sulfonamide
CID 62143298
N-(2,2-difluoroethyl)-2-(propylamino)pyridine-3-sulfonamide
CID 113304047

Frequently Asked Questions

What is the IUPAC name of N-(2-iodophenyl)-2-(propylamino)pyridine-3-sulfonamide?
The IUPAC name of N-(2-iodophenyl)-2-(propylamino)pyridine-3-sulfonamide (CID 62144258) is N-(2-iodophenyl)-2-(propylamino)pyridine-3-sulfonamide.
What is the SMILES notation for N-(2-iodophenyl)-2-(propylamino)pyridine-3-sulfonamide?
The canonical SMILES for N-(2-iodophenyl)-2-(propylamino)pyridine-3-sulfonamide is CCCNc1ncccc1S(=O)(=O)Nc1ccccc1I.
What is the InChIKey of N-(2-iodophenyl)-2-(propylamino)pyridine-3-sulfonamide?
The InChIKey is SULPZRYBPDNALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16IN3O2S/c1-2-9-16-14-13(8-5-10-17-14)21(19,20)18-12-7-4-3-6-11(12)15/h3-8,10,18H,2,9H2,1H3,(H,16,17).
What are the key properties of N-(2-iodophenyl)-2-(propylamino)pyridine-3-sulfonamide?
N-(2-iodophenyl)-2-(propylamino)pyridine-3-sulfonamide has a molecular weight of 417.27 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-iodophenyl)-2-(propylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 62144258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).