2,6-dimethoxy-N-[4-(methoxymethyl)-2-pyridinyl]-3-methylbenzenesulfonamide

C16H20N2O5S — CID 167946777

IUPAC2,6-dimethoxy-N-[4-(methoxymethyl)-2-pyridinyl]-3-methylbenzenesulfonamide
SMILESCOCc1ccnc(NS(=O)(=O)c2c(OC)ccc(C)c2OC)c1
InChIInChI=1S/C16H20N2O5S/c1-11-5-6-13(22-3)16(15(11)23-4)24(19,20)18-14-9-12(10-21-2)7-8-17-14/h5-9H,10H2,1-4H3,(H,17,18)
InChIKeyZWJZYCCCZMTZBS-UHFFFAOYSA-N
MW352.41 g/mol
LogP2.35
Rot. Bonds7

About 2,6-dimethoxy-N-[4-(methoxymethyl)-2-pyridinyl]-3-methylbenzenesulfonamide

2,6-dimethoxy-N-[4-(methoxymethyl)-2-pyridinyl]-3-methylbenzenesulfonamide (PubChem CID 167946777) has the molecular formula C16H20N2O5S and a molecular weight of 352.41 g/mol. Its IUPAC name is 2,6-dimethoxy-N-[4-(methoxymethyl)-2-pyridinyl]-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name2,6-dimethoxy-N-[4-(methoxymethyl)-2-pyridinyl]-3-methylbenzenesulfonamide
PubChem CID167946777
Molecular FormulaC16H20N2O5S
Molecular Weight352.41 g/mol
Exact Mass352.11
IUPAC Name2,6-dimethoxy-N-[4-(methoxymethyl)-2-pyridinyl]-3-methylbenzenesulfonamide
SMILESCOCc1ccnc(NS(=O)(=O)c2c(OC)ccc(C)c2OC)c1
InChIInChI=1S/C16H20N2O5S/c1-11-5-6-13(22-3)16(15(11)23-4)24(19,20)18-14-9-12(10-21-2)7-8-17-14/h5-9H,10H2,1-4H3,(H,17,18)
InChIKeyZWJZYCCCZMTZBS-UHFFFAOYSA-N
XLogP2.35
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-N-[4-(methoxymethyl)-2-pyridinyl]-3-methylbenzenesulfonamide?
The IUPAC name of 2,6-dimethoxy-N-[4-(methoxymethyl)-2-pyridinyl]-3-methylbenzenesulfonamide (CID 167946777) is 2,6-dimethoxy-N-[4-(methoxymethyl)-2-pyridinyl]-3-methylbenzenesulfonamide.
What is the SMILES notation for 2,6-dimethoxy-N-[4-(methoxymethyl)-2-pyridinyl]-3-methylbenzenesulfonamide?
The canonical SMILES for 2,6-dimethoxy-N-[4-(methoxymethyl)-2-pyridinyl]-3-methylbenzenesulfonamide is COCc1ccnc(NS(=O)(=O)c2c(OC)ccc(C)c2OC)c1.
What is the InChIKey of 2,6-dimethoxy-N-[4-(methoxymethyl)-2-pyridinyl]-3-methylbenzenesulfonamide?
The InChIKey is ZWJZYCCCZMTZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O5S/c1-11-5-6-13(22-3)16(15(11)23-4)24(19,20)18-14-9-12(10-21-2)7-8-17-14/h5-9H,10H2,1-4H3,(H,17,18).
What are the key properties of 2,6-dimethoxy-N-[4-(methoxymethyl)-2-pyridinyl]-3-methylbenzenesulfonamide?
2,6-dimethoxy-N-[4-(methoxymethyl)-2-pyridinyl]-3-methylbenzenesulfonamide has a molecular weight of 352.41 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-N-[4-(methoxymethyl)-2-pyridinyl]-3-methylbenzenesulfonamide is sourced from PubChem (CID 167946777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).