N-[2-(3,5-dimethoxyphenyl)-3-pyridinyl]-4-methoxybenzenesulfonamide

C20H20N2O5S — CID 154631947

IUPACN-[2-(3,5-dimethoxyphenyl)-3-pyridinyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccnc2-c2cc(OC)cc(OC)c2)cc1
InChIInChI=1S/C20H20N2O5S/c1-25-15-6-8-18(9-7-15)28(23,24)22-19-5-4-10-21-20(19)14-11-16(26-2)13-17(12-14)27-3/h4-13,22H,1-3H3
InChIKeyDKQWHAHXGJSYHD-UHFFFAOYSA-N
MW400.46 g/mol
LogP3.58
Rot. Bonds7

About N-[2-(3,5-dimethoxyphenyl)-3-pyridinyl]-4-methoxybenzenesulfonamide

N-[2-(3,5-dimethoxyphenyl)-3-pyridinyl]-4-methoxybenzenesulfonamide (PubChem CID 154631947) has the molecular formula C20H20N2O5S and a molecular weight of 400.46 g/mol. Its IUPAC name is N-[2-(3,5-dimethoxyphenyl)-3-pyridinyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethoxyphenyl)-3-pyridinyl]-4-methoxybenzenesulfonamide
PubChem CID154631947
Molecular FormulaC20H20N2O5S
Molecular Weight400.46 g/mol
Exact Mass400.11
IUPAC NameN-[2-(3,5-dimethoxyphenyl)-3-pyridinyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccnc2-c2cc(OC)cc(OC)c2)cc1
InChIInChI=1S/C20H20N2O5S/c1-25-15-6-8-18(9-7-15)28(23,24)22-19-5-4-10-21-20(19)14-11-16(26-2)13-17(12-14)27-3/h4-13,22H,1-3H3
InChIKeyDKQWHAHXGJSYHD-UHFFFAOYSA-N
XLogP3.58
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethoxyphenyl)-3-pyridinyl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[2-(3,5-dimethoxyphenyl)-3-pyridinyl]-4-methoxybenzenesulfonamide (CID 154631947) is N-[2-(3,5-dimethoxyphenyl)-3-pyridinyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[2-(3,5-dimethoxyphenyl)-3-pyridinyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[2-(3,5-dimethoxyphenyl)-3-pyridinyl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cccnc2-c2cc(OC)cc(OC)c2)cc1.
What is the InChIKey of N-[2-(3,5-dimethoxyphenyl)-3-pyridinyl]-4-methoxybenzenesulfonamide?
The InChIKey is DKQWHAHXGJSYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5S/c1-25-15-6-8-18(9-7-15)28(23,24)22-19-5-4-10-21-20(19)14-11-16(26-2)13-17(12-14)27-3/h4-13,22H,1-3H3.
What are the key properties of N-[2-(3,5-dimethoxyphenyl)-3-pyridinyl]-4-methoxybenzenesulfonamide?
N-[2-(3,5-dimethoxyphenyl)-3-pyridinyl]-4-methoxybenzenesulfonamide has a molecular weight of 400.46 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethoxyphenyl)-3-pyridinyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 154631947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).