N-(2-amino-5-iodo-3-pyridinyl)-N,4-dimethylbenzenesulfonamide

C13H14IN3O2S — CID 10971451

IUPACN-(2-amino-5-iodo-3-pyridinyl)-N,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)c2cc(I)cnc2N)cc1
InChIInChI=1S/C13H14IN3O2S/c1-9-3-5-11(6-4-9)20(18,19)17(2)12-7-10(14)8-16-13(12)15/h3-8H,1-2H3,(H2,15,16)
InChIKeyUHOLQTVOMLWLOW-UHFFFAOYSA-N
MW403.25 g/mol
LogP2.40
Rot. Bonds3

About N-(2-amino-5-iodo-3-pyridinyl)-N,4-dimethylbenzenesulfonamide

N-(2-amino-5-iodo-3-pyridinyl)-N,4-dimethylbenzenesulfonamide (PubChem CID 10971451) has the molecular formula C13H14IN3O2S and a molecular weight of 403.25 g/mol. Its IUPAC name is N-(2-amino-5-iodo-3-pyridinyl)-N,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-amino-5-iodo-3-pyridinyl)-N,4-dimethylbenzenesulfonamide
PubChem CID10971451
Molecular FormulaC13H14IN3O2S
Molecular Weight403.25 g/mol
Exact Mass402.99
IUPAC NameN-(2-amino-5-iodo-3-pyridinyl)-N,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)c2cc(I)cnc2N)cc1
InChIInChI=1S/C13H14IN3O2S/c1-9-3-5-11(6-4-9)20(18,19)17(2)12-7-10(14)8-16-13(12)15/h3-8H,1-2H3,(H2,15,16)
InChIKeyUHOLQTVOMLWLOW-UHFFFAOYSA-N
XLogP2.40
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.25
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-iodo-3-pyridinyl)-N,4-dimethylbenzenesulfonamide?
The IUPAC name of N-(2-amino-5-iodo-3-pyridinyl)-N,4-dimethylbenzenesulfonamide (CID 10971451) is N-(2-amino-5-iodo-3-pyridinyl)-N,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(2-amino-5-iodo-3-pyridinyl)-N,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-(2-amino-5-iodo-3-pyridinyl)-N,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(C)c2cc(I)cnc2N)cc1.
What is the InChIKey of N-(2-amino-5-iodo-3-pyridinyl)-N,4-dimethylbenzenesulfonamide?
The InChIKey is UHOLQTVOMLWLOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14IN3O2S/c1-9-3-5-11(6-4-9)20(18,19)17(2)12-7-10(14)8-16-13(12)15/h3-8H,1-2H3,(H2,15,16).
What are the key properties of N-(2-amino-5-iodo-3-pyridinyl)-N,4-dimethylbenzenesulfonamide?
N-(2-amino-5-iodo-3-pyridinyl)-N,4-dimethylbenzenesulfonamide has a molecular weight of 403.25 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-iodo-3-pyridinyl)-N,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 10971451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).