N-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]-3-pyridinyl]methanesulfonamide

C19H24N2O8S2 — CID 54759259

IUPACN-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]-3-pyridinyl]methanesulfonamide
SMILESCOc1cc(OC)c(/C=C/S(=O)(=O)Cc2cnc(OC)c(NS(C)(=O)=O)c2)c(OC)c1
InChIInChI=1S/C19H24N2O8S2/c1-26-14-9-17(27-2)15(18(10-14)28-3)6-7-31(24,25)12-13-8-16(21-30(5,22)23)19(29-4)20-11-13/h6-11,21H,12H2,1-5H3/b7-6+
InChIKeyHEBBDGMHRHUJRY-VOTSOKGWSA-N
MW472.54 g/mol
LogP2.07
Rot. Bonds10

About N-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]-3-pyridinyl]methanesulfonamide

N-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]-3-pyridinyl]methanesulfonamide (PubChem CID 54759259) has the molecular formula C19H24N2O8S2 and a molecular weight of 472.54 g/mol. Its IUPAC name is N-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]-3-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]-3-pyridinyl]methanesulfonamide
PubChem CID54759259
Molecular FormulaC19H24N2O8S2
Molecular Weight472.54 g/mol
Exact Mass472.10
IUPAC NameN-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]-3-pyridinyl]methanesulfonamide
SMILESCOc1cc(OC)c(/C=C/S(=O)(=O)Cc2cnc(OC)c(NS(C)(=O)=O)c2)c(OC)c1
InChIInChI=1S/C19H24N2O8S2/c1-26-14-9-17(27-2)15(18(10-14)28-3)6-7-31(24,25)12-13-8-16(21-30(5,22)23)19(29-4)20-11-13/h6-11,21H,12H2,1-5H3/b7-6+
InChIKeyHEBBDGMHRHUJRY-VOTSOKGWSA-N
XLogP2.07
TPSA130.12 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.54
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]-3-pyridinyl]methanesulfonamide?
The IUPAC name of N-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]-3-pyridinyl]methanesulfonamide (CID 54759259) is N-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]-3-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]-3-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]-3-pyridinyl]methanesulfonamide is COc1cc(OC)c(/C=C/S(=O)(=O)Cc2cnc(OC)c(NS(C)(=O)=O)c2)c(OC)c1.
What is the InChIKey of N-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]-3-pyridinyl]methanesulfonamide?
The InChIKey is HEBBDGMHRHUJRY-VOTSOKGWSA-N. The full InChI is InChI=1S/C19H24N2O8S2/c1-26-14-9-17(27-2)15(18(10-14)28-3)6-7-31(24,25)12-13-8-16(21-30(5,22)23)19(29-4)20-11-13/h6-11,21H,12H2,1-5H3/b7-6+.
What are the key properties of N-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]-3-pyridinyl]methanesulfonamide?
N-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]-3-pyridinyl]methanesulfonamide has a molecular weight of 472.54 g/mol, XLogP of 2.07, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]-3-pyridinyl]methanesulfonamide is sourced from PubChem (CID 54759259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).