3,5-dichloro-N-(2,6-dimethoxy-3-pyridinyl)-4-methoxy-N-methylsulfonylbenzamide

C16H16Cl2N2O6S — CID 3475872

IUPAC3,5-dichloro-N-(2,6-dimethoxy-3-pyridinyl)-4-methoxy-N-methylsulfonylbenzamide
SMILESCOc1ccc(N(C(=O)c2cc(Cl)c(OC)c(Cl)c2)S(C)(=O)=O)c(OC)n1
InChIInChI=1S/C16H16Cl2N2O6S/c1-24-13-6-5-12(15(19-13)26-3)20(27(4,22)23)16(21)9-7-10(17)14(25-2)11(18)8-9/h5-8H,1-4H3
InChIKeyNFDQYVHBNHZRCK-UHFFFAOYSA-N
MW435.29 g/mol
LogP3.02
Rot. Bonds6

About 3,5-dichloro-N-(2,6-dimethoxy-3-pyridinyl)-4-methoxy-N-methylsulfonylbenzamide

3,5-dichloro-N-(2,6-dimethoxy-3-pyridinyl)-4-methoxy-N-methylsulfonylbenzamide (PubChem CID 3475872) has the molecular formula C16H16Cl2N2O6S and a molecular weight of 435.29 g/mol. Its IUPAC name is 3,5-dichloro-N-(2,6-dimethoxy-3-pyridinyl)-4-methoxy-N-methylsulfonylbenzamide.

Molecular Properties

Compound Name3,5-dichloro-N-(2,6-dimethoxy-3-pyridinyl)-4-methoxy-N-methylsulfonylbenzamide
PubChem CID3475872
Molecular FormulaC16H16Cl2N2O6S
Molecular Weight435.29 g/mol
Exact Mass434.01
IUPAC Name3,5-dichloro-N-(2,6-dimethoxy-3-pyridinyl)-4-methoxy-N-methylsulfonylbenzamide
SMILESCOc1ccc(N(C(=O)c2cc(Cl)c(OC)c(Cl)c2)S(C)(=O)=O)c(OC)n1
InChIInChI=1S/C16H16Cl2N2O6S/c1-24-13-6-5-12(15(19-13)26-3)20(27(4,22)23)16(21)9-7-10(17)14(25-2)11(18)8-9/h5-8H,1-4H3
InChIKeyNFDQYVHBNHZRCK-UHFFFAOYSA-N
XLogP3.02
TPSA95.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.29
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-(2,6-dimethoxy-3-pyridinyl)-4-methoxy-N-methylsulfonylbenzamide?
The IUPAC name of 3,5-dichloro-N-(2,6-dimethoxy-3-pyridinyl)-4-methoxy-N-methylsulfonylbenzamide (CID 3475872) is 3,5-dichloro-N-(2,6-dimethoxy-3-pyridinyl)-4-methoxy-N-methylsulfonylbenzamide.
What is the SMILES notation for 3,5-dichloro-N-(2,6-dimethoxy-3-pyridinyl)-4-methoxy-N-methylsulfonylbenzamide?
The canonical SMILES for 3,5-dichloro-N-(2,6-dimethoxy-3-pyridinyl)-4-methoxy-N-methylsulfonylbenzamide is COc1ccc(N(C(=O)c2cc(Cl)c(OC)c(Cl)c2)S(C)(=O)=O)c(OC)n1.
What is the InChIKey of 3,5-dichloro-N-(2,6-dimethoxy-3-pyridinyl)-4-methoxy-N-methylsulfonylbenzamide?
The InChIKey is NFDQYVHBNHZRCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O6S/c1-24-13-6-5-12(15(19-13)26-3)20(27(4,22)23)16(21)9-7-10(17)14(25-2)11(18)8-9/h5-8H,1-4H3.
What are the key properties of 3,5-dichloro-N-(2,6-dimethoxy-3-pyridinyl)-4-methoxy-N-methylsulfonylbenzamide?
3,5-dichloro-N-(2,6-dimethoxy-3-pyridinyl)-4-methoxy-N-methylsulfonylbenzamide has a molecular weight of 435.29 g/mol, XLogP of 3.02, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-(2,6-dimethoxy-3-pyridinyl)-4-methoxy-N-methylsulfonylbenzamide is sourced from PubChem (CID 3475872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).