5-(aminomethyl)-N-(3-iodophenyl)pyridine-2-sulfonamide

C12H12IN3O2S — CID 106029529

IUPAC5-(aminomethyl)-N-(3-iodophenyl)pyridine-2-sulfonamide
SMILESNCc1ccc(S(=O)(=O)Nc2cccc(I)c2)nc1
InChIInChI=1S/C12H12IN3O2S/c13-10-2-1-3-11(6-10)16-19(17,18)12-5-4-9(7-14)8-15-12/h1-6,8,16H,7,14H2
InChIKeyFTWYJJZSVNVLNZ-UHFFFAOYSA-N
MW389.22 g/mol
LogP1.95
Rot. Bonds4

About 5-(aminomethyl)-N-(3-iodophenyl)pyridine-2-sulfonamide

5-(aminomethyl)-N-(3-iodophenyl)pyridine-2-sulfonamide (PubChem CID 106029529) has the molecular formula C12H12IN3O2S and a molecular weight of 389.22 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(3-iodophenyl)pyridine-2-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(3-iodophenyl)pyridine-2-sulfonamide
PubChem CID106029529
Molecular FormulaC12H12IN3O2S
Molecular Weight389.22 g/mol
Exact Mass388.97
IUPAC Name5-(aminomethyl)-N-(3-iodophenyl)pyridine-2-sulfonamide
SMILESNCc1ccc(S(=O)(=O)Nc2cccc(I)c2)nc1
InChIInChI=1S/C12H12IN3O2S/c13-10-2-1-3-11(6-10)16-19(17,18)12-5-4-9(7-14)8-15-12/h1-6,8,16H,7,14H2
InChIKeyFTWYJJZSVNVLNZ-UHFFFAOYSA-N
XLogP1.95
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.22
LogP ≤ 51.95
H-Bond Donors ≤ 52
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 5-(aminomethyl)-N-(3-iodophenyl)pyridine-2-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(3-iodophenyl)pyridine-2-sulfonamide (CID 106029529) is 5-(aminomethyl)-N-(3-iodophenyl)pyridine-2-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(3-iodophenyl)pyridine-2-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(3-iodophenyl)pyridine-2-sulfonamide is NCc1ccc(S(=O)(=O)Nc2cccc(I)c2)nc1.
What is the InChIKey of 5-(aminomethyl)-N-(3-iodophenyl)pyridine-2-sulfonamide?
The InChIKey is FTWYJJZSVNVLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12IN3O2S/c13-10-2-1-3-11(6-10)16-19(17,18)12-5-4-9(7-14)8-15-12/h1-6,8,16H,7,14H2.
What are the key properties of 5-(aminomethyl)-N-(3-iodophenyl)pyridine-2-sulfonamide?
5-(aminomethyl)-N-(3-iodophenyl)pyridine-2-sulfonamide has a molecular weight of 389.22 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(3-iodophenyl)pyridine-2-sulfonamide is sourced from PubChem (CID 106029529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).