6-methoxy-N-[6-(methoxymethyl)-5-methyl-1,2-benzoxazol-3-yl]pyridine-3-sulfonamide;6-(methoxymethyl)-5-methyl-1,2-benzoxazol-3-amine;6-methoxypyridine-3-sulfonyl chloride;triiodo-λ3-iodane

C32H34ClI4N6O10S2+ — CID 161276980

IUPAC6-methoxy-N-[6-(methoxymethyl)-5-methyl-1,2-benzoxazol-3-yl]pyridine-3-sulfonamide;6-(methoxymethyl)-5-methyl-1,2-benzoxazol-3-amine;6-methoxypyridine-3-sulfonyl chloride;triiodo-λ3-iodane
SMILESCOCc1cc2onc(NS(=O)(=O)c3ccc(OC)nc3)c2cc1C.COc1ccc(S(=O)(=O)Cl)cn1.II(I)I.[CH2+]OCc1cc2onc(N)c2cc1C
InChIInChI=1S/C16H17N3O5S.C10H11N2O2.C6H6ClNO3S.I4/c1-10-6-13-14(7-11(10)9-22-2)24-18-16(13)19-25(20,21)12-4-5-15(23-3)17-8-12;1-6-3-8-9(14-12-10(8)11)4-7(6)5-13-2;1-11-6-3-2-5(4-8-6)12(7,9)10;1-4(2)3/h4-8H,9H2,1-3H3,(H,18,19);3-4H,2,5H2,1H3,(H2,11,12);2-4H,1H3;/q;+1;;
InChIKeyVEOIYFUXMLJJFD-UHFFFAOYSA-N
MW1269.86 g/mol
LogP9.07
Rot. Bonds10

About 6-methoxy-N-[6-(methoxymethyl)-5-methyl-1,2-benzoxazol-3-yl]pyridine-3-sulfonamide;6-(methoxymethyl)-5-methyl-1,2-benzoxazol-3-amine;6-methoxypyridine-3-sulfonyl chloride;triiodo-λ3-iodane

6-methoxy-N-[6-(methoxymethyl)-5-methyl-1,2-benzoxazol-3-yl]pyridine-3-sulfonamide;6-(methoxymethyl)-5-methyl-1,2-benzoxazol-3-amine;6-methoxypyridine-3-sulfonyl chloride;triiodo-λ3-iodane (PubChem CID 161276980) has the molecular formula C32H34ClI4N6O10S2+ and a molecular weight of 1269.86 g/mol. Its IUPAC name is 6-methoxy-N-[6-(methoxymethyl)-5-methyl-1,2-benzoxazol-3-yl]pyridine-3-sulfonamide;6-(methoxymethyl)-5-methyl-1,2-benzoxazol-3-amine;6-methoxypyridine-3-sulfonyl chloride;triiodo-λ3-iodane.

Molecular Properties

Compound Name6-methoxy-N-[6-(methoxymethyl)-5-methyl-1,2-benzoxazol-3-yl]pyridine-3-sulfonamide;6-(methoxymethyl)-5-methyl-1,2-benzoxazol-3-amine;6-methoxypyridine-3-sulfonyl chloride;triiodo-λ3-iodane
PubChem CID161276980
Molecular FormulaC32H34ClI4N6O10S2+
Molecular Weight1269.86 g/mol
Exact Mass1268.76
IUPAC Name6-methoxy-N-[6-(methoxymethyl)-5-methyl-1,2-benzoxazol-3-yl]pyridine-3-sulfonamide;6-(methoxymethyl)-5-methyl-1,2-benzoxazol-3-amine;6-methoxypyridine-3-sulfonyl chloride;triiodo-λ3-iodane
SMILESCOCc1cc2onc(NS(=O)(=O)c3ccc(OC)nc3)c2cc1C.COc1ccc(S(=O)(=O)Cl)cn1.II(I)I.[CH2+]OCc1cc2onc(N)c2cc1C
InChIInChI=1S/C16H17N3O5S.C10H11N2O2.C6H6ClNO3S.I4/c1-10-6-13-14(7-11(10)9-22-2)24-18-16(13)19-25(20,21)12-4-5-15(23-3)17-8-12;1-6-3-8-9(14-12-10(8)11)4-7(6)5-13-2;1-11-6-3-2-5(4-8-6)12(7,9)10;1-4(2)3/h4-8H,9H2,1-3H3,(H,18,19);3-4H,2,5H2,1H3,(H2,11,12);2-4H,1H3;/q;+1;;
InChIKeyVEOIYFUXMLJJFD-UHFFFAOYSA-N
XLogP9.07
TPSA221.09 Ų
H-Bond Donors2
H-Bond Acceptors15
Rotatable Bonds10
Heavy Atoms55
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001269.86
LogP ≤ 59.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 6-methoxy-N-[6-(methoxymethyl)-5-methyl-1,2-benzoxazol-3-yl]pyridine-3-sulfonamide;6-(methoxymethyl)-5-methyl-1,2-benzoxazol-3-amine;6-methoxypyridine-3-sulfonyl chloride;triiodo-λ3-iodane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[6-(methoxymethyl)-5-methyl-1,2-benzoxazol-3-yl]pyridine-3-sulfonamide;6-(methoxymethyl)-5-methyl-1,2-benzoxazol-3-amine;6-methoxypyridine-3-sulfonyl chloride;triiodo-λ3-iodane?
The IUPAC name of 6-methoxy-N-[6-(methoxymethyl)-5-methyl-1,2-benzoxazol-3-yl]pyridine-3-sulfonamide;6-(methoxymethyl)-5-methyl-1,2-benzoxazol-3-amine;6-methoxypyridine-3-sulfonyl chloride;triiodo-λ3-iodane (CID 161276980) is 6-methoxy-N-[6-(methoxymethyl)-5-methyl-1,2-benzoxazol-3-yl]pyridine-3-sulfonamide;6-(methoxymethyl)-5-methyl-1,2-benzoxazol-3-amine;6-methoxypyridine-3-sulfonyl chloride;triiodo-λ3-iodane.
What is the SMILES notation for 6-methoxy-N-[6-(methoxymethyl)-5-methyl-1,2-benzoxazol-3-yl]pyridine-3-sulfonamide;6-(methoxymethyl)-5-methyl-1,2-benzoxazol-3-amine;6-methoxypyridine-3-sulfonyl chloride;triiodo-λ3-iodane?
The canonical SMILES for 6-methoxy-N-[6-(methoxymethyl)-5-methyl-1,2-benzoxazol-3-yl]pyridine-3-sulfonamide;6-(methoxymethyl)-5-methyl-1,2-benzoxazol-3-amine;6-methoxypyridine-3-sulfonyl chloride;triiodo-λ3-iodane is COCc1cc2onc(NS(=O)(=O)c3ccc(OC)nc3)c2cc1C.COc1ccc(S(=O)(=O)Cl)cn1.II(I)I.[CH2+]OCc1cc2onc(N)c2cc1C.
What is the InChIKey of 6-methoxy-N-[6-(methoxymethyl)-5-methyl-1,2-benzoxazol-3-yl]pyridine-3-sulfonamide;6-(methoxymethyl)-5-methyl-1,2-benzoxazol-3-amine;6-methoxypyridine-3-sulfonyl chloride;triiodo-λ3-iodane?
The InChIKey is VEOIYFUXMLJJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O5S.C10H11N2O2.C6H6ClNO3S.I4/c1-10-6-13-14(7-11(10)9-22-2)24-18-16(13)19-25(20,21)12-4-5-15(23-3)17-8-12;1-6-3-8-9(14-12-10(8)11)4-7(6)5-13-2;1-11-6-3-2-5(4-8-6)12(7,9)10;1-4(2)3/h4-8H,9H2,1-3H3,(H,18,19);3-4H,2,5H2,1H3,(H2,11,12);2-4H,1H3;/q;+1;;.
What are the key properties of 6-methoxy-N-[6-(methoxymethyl)-5-methyl-1,2-benzoxazol-3-yl]pyridine-3-sulfonamide;6-(methoxymethyl)-5-methyl-1,2-benzoxazol-3-amine;6-methoxypyridine-3-sulfonyl chloride;triiodo-λ3-iodane?
6-methoxy-N-[6-(methoxymethyl)-5-methyl-1,2-benzoxazol-3-yl]pyridine-3-sulfonamide;6-(methoxymethyl)-5-methyl-1,2-benzoxazol-3-amine;6-methoxypyridine-3-sulfonyl chloride;triiodo-λ3-iodane has a molecular weight of 1269.86 g/mol, XLogP of 9.07, 10 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[6-(methoxymethyl)-5-methyl-1,2-benzoxazol-3-yl]pyridine-3-sulfonamide;6-(methoxymethyl)-5-methyl-1,2-benzoxazol-3-amine;6-methoxypyridine-3-sulfonyl chloride;triiodo-λ3-iodane is sourced from PubChem (CID 161276980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).