bis(iodoiodanuidyl)iodanium;hydron;bis(2,4,6-trimethyl-N-(6-methyl-2-pyridinyl)benzenesulfonamide)

C30H37I5N4O4S2 — CID 139147124

IUPACbis(iodoiodanuidyl)iodanium;hydron;bis(2,4,6-trimethyl-N-(6-methyl-2-pyridinyl)benzenesulfonamide)
SMILESCc1cc(C)c(S(=O)(=O)Nc2cccc(C)n2)c(C)c1.Cc1cc(C)c(S(=O)(=O)Nc2cccc(C)n2)c(C)c1.I[I-][I+][I-]I.[H+]
InChIInChI=1S/2C15H18N2O2S.I5/c2*1-10-8-11(2)15(12(3)9-10)20(18,19)17-14-7-5-6-13(4)16-14;1-3-5-4-2/h2*5-9H,1-4H3,(H,16,17);/q;;-1/p+1
InChIKeyHOGHVFJKWJBWOG-UHFFFAOYSA-O
MW1216.30 g/mol
LogP-0.87
Rot. Bonds8

About bis(iodoiodanuidyl)iodanium;hydron;bis(2,4,6-trimethyl-N-(6-methyl-2-pyridinyl)benzenesulfonamide)

bis(iodoiodanuidyl)iodanium;hydron;bis(2,4,6-trimethyl-N-(6-methyl-2-pyridinyl)benzenesulfonamide) (PubChem CID 139147124) has the molecular formula C30H37I5N4O4S2 and a molecular weight of 1216.30 g/mol. Its IUPAC name is bis(iodoiodanuidyl)iodanium;hydron;bis(2,4,6-trimethyl-N-(6-methyl-2-pyridinyl)benzenesulfonamide).

Molecular Properties

Compound Namebis(iodoiodanuidyl)iodanium;hydron;bis(2,4,6-trimethyl-N-(6-methyl-2-pyridinyl)benzenesulfonamide)
PubChem CID139147124
Molecular FormulaC30H37I5N4O4S2
Molecular Weight1216.30 g/mol
Exact Mass1215.75
IUPAC Namebis(iodoiodanuidyl)iodanium;hydron;bis(2,4,6-trimethyl-N-(6-methyl-2-pyridinyl)benzenesulfonamide)
SMILESCc1cc(C)c(S(=O)(=O)Nc2cccc(C)n2)c(C)c1.Cc1cc(C)c(S(=O)(=O)Nc2cccc(C)n2)c(C)c1.I[I-][I+][I-]I.[H+]
InChIInChI=1S/2C15H18N2O2S.I5/c2*1-10-8-11(2)15(12(3)9-10)20(18,19)17-14-7-5-6-13(4)16-14;1-3-5-4-2/h2*5-9H,1-4H3,(H,16,17);/q;;-1/p+1
InChIKeyHOGHVFJKWJBWOG-UHFFFAOYSA-O
XLogP-0.87
TPSA118.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5001216.30
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Biphenyl-4-sulfonic acid (6-methyl-pyridin-2-yl)-amide
CID 4982676
N-(Pyridin-2-yl) arylsulfonamide, 19
CID 44143308
N-(Pyridin-2-yl) arylsulfonamide, 21
CID 44143310
N-(4,6-dimethyl-2-pyridinyl)-4-(2-methylpropyl)benzenesulfonamide
CID 778279
4-cyclohexyl-N-(6-methyl-2-pyridinyl)benzenesulfonamide
CID 893741
4-methyl-N-(6-methylpyridin-2-yl)benzenesulfonamide
CID 3861460
N-(6-methylpyridin-2-yl)mesitylenesulfonamide
CID 1130353
6-Amino-2-[4-(trifluoromethyl)phenylsulfonylimino]-1,2-dihydropyridine
CID 139145812
Cambridge id 5308467
CID 998909
5-fluoro-N-[5-(3-fluorophenyl)-6-methyl-2-pyridinyl]-2-methylbenzenesulfonamide
CID 11552515
5-fluoro-N-[5-(4-fluorophenyl)-6-methyl-2-pyridinyl]-2-methylbenzenesulfonamide
CID 11617715
5-fluoro-N-[6-(2-fluorophenyl)-2-pyridinyl]-2-methylbenzenesulfonamide
CID 11696183

Frequently Asked Questions

What is the IUPAC name of bis(iodoiodanuidyl)iodanium;hydron;bis(2,4,6-trimethyl-N-(6-methyl-2-pyridinyl)benzenesulfonamide)?
The IUPAC name of bis(iodoiodanuidyl)iodanium;hydron;bis(2,4,6-trimethyl-N-(6-methyl-2-pyridinyl)benzenesulfonamide) (CID 139147124) is bis(iodoiodanuidyl)iodanium;hydron;bis(2,4,6-trimethyl-N-(6-methyl-2-pyridinyl)benzenesulfonamide).
What is the SMILES notation for bis(iodoiodanuidyl)iodanium;hydron;bis(2,4,6-trimethyl-N-(6-methyl-2-pyridinyl)benzenesulfonamide)?
The canonical SMILES for bis(iodoiodanuidyl)iodanium;hydron;bis(2,4,6-trimethyl-N-(6-methyl-2-pyridinyl)benzenesulfonamide) is Cc1cc(C)c(S(=O)(=O)Nc2cccc(C)n2)c(C)c1.Cc1cc(C)c(S(=O)(=O)Nc2cccc(C)n2)c(C)c1.I[I-][I+][I-]I.[H+].
What is the InChIKey of bis(iodoiodanuidyl)iodanium;hydron;bis(2,4,6-trimethyl-N-(6-methyl-2-pyridinyl)benzenesulfonamide)?
The InChIKey is HOGHVFJKWJBWOG-UHFFFAOYSA-O. The full InChI is InChI=1S/2C15H18N2O2S.I5/c2*1-10-8-11(2)15(12(3)9-10)20(18,19)17-14-7-5-6-13(4)16-14;1-3-5-4-2/h2*5-9H,1-4H3,(H,16,17);/q;;-1/p+1.
What are the key properties of bis(iodoiodanuidyl)iodanium;hydron;bis(2,4,6-trimethyl-N-(6-methyl-2-pyridinyl)benzenesulfonamide)?
bis(iodoiodanuidyl)iodanium;hydron;bis(2,4,6-trimethyl-N-(6-methyl-2-pyridinyl)benzenesulfonamide) has a molecular weight of 1216.30 g/mol, XLogP of -0.87, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(iodoiodanuidyl)iodanium;hydron;bis(2,4,6-trimethyl-N-(6-methyl-2-pyridinyl)benzenesulfonamide) is sourced from PubChem (CID 139147124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).