2,5-dimethoxy-N-pyridin-3-ylbenzenesulfonamide

C13H14N2O4S — CID 893397

IUPAC2,5-dimethoxy-N-pyridin-3-ylbenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2cccnc2)c1
InChIInChI=1S/C13H14N2O4S/c1-18-11-5-6-12(19-2)13(8-11)20(16,17)15-10-4-3-7-14-9-10/h3-9,15H,1-2H3
InChIKeyVORBWNVMSMVSMS-UHFFFAOYSA-N
MW294.33 g/mol
LogP1.90
Rot. Bonds5

About 2,5-dimethoxy-N-pyridin-3-ylbenzenesulfonamide

2,5-dimethoxy-N-pyridin-3-ylbenzenesulfonamide (PubChem CID 893397) has the molecular formula C13H14N2O4S and a molecular weight of 294.33 g/mol. Its IUPAC name is 2,5-dimethoxy-N-pyridin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethoxy-N-pyridin-3-ylbenzenesulfonamide
PubChem CID893397
Molecular FormulaC13H14N2O4S
Molecular Weight294.33 g/mol
Exact Mass294.07
IUPAC Name2,5-dimethoxy-N-pyridin-3-ylbenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2cccnc2)c1
InChIInChI=1S/C13H14N2O4S/c1-18-11-5-6-12(19-2)13(8-11)20(16,17)15-10-4-3-7-14-9-10/h3-9,15H,1-2H3
InChIKeyVORBWNVMSMVSMS-UHFFFAOYSA-N
XLogP1.90
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-pyridin-3-ylbenzenesulfonamide?
The IUPAC name of 2,5-dimethoxy-N-pyridin-3-ylbenzenesulfonamide (CID 893397) is 2,5-dimethoxy-N-pyridin-3-ylbenzenesulfonamide.
What is the SMILES notation for 2,5-dimethoxy-N-pyridin-3-ylbenzenesulfonamide?
The canonical SMILES for 2,5-dimethoxy-N-pyridin-3-ylbenzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)Nc2cccnc2)c1.
What is the InChIKey of 2,5-dimethoxy-N-pyridin-3-ylbenzenesulfonamide?
The InChIKey is VORBWNVMSMVSMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4S/c1-18-11-5-6-12(19-2)13(8-11)20(16,17)15-10-4-3-7-14-9-10/h3-9,15H,1-2H3.
What are the key properties of 2,5-dimethoxy-N-pyridin-3-ylbenzenesulfonamide?
2,5-dimethoxy-N-pyridin-3-ylbenzenesulfonamide has a molecular weight of 294.33 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-N-pyridin-3-ylbenzenesulfonamide is sourced from PubChem (CID 893397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).