2-methoxy-5-methyl-N-pyridin-3-ylbenzenesulfonamide

C13H14N2O3S — CID 645853

IUPAC2-methoxy-5-methyl-N-pyridin-3-ylbenzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)Nc1cccnc1
InChIInChI=1S/C13H14N2O3S/c1-10-5-6-12(18-2)13(8-10)19(16,17)15-11-4-3-7-14-9-11/h3-9,15H,1-2H3
InChIKeyOLSQAIQMPKVMBE-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.20
Rot. Bonds4

About 2-methoxy-5-methyl-N-pyridin-3-ylbenzenesulfonamide

2-methoxy-5-methyl-N-pyridin-3-ylbenzenesulfonamide (PubChem CID 645853) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is 2-methoxy-5-methyl-N-pyridin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-5-methyl-N-pyridin-3-ylbenzenesulfonamide
PubChem CID645853
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC Name2-methoxy-5-methyl-N-pyridin-3-ylbenzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)Nc1cccnc1
InChIInChI=1S/C13H14N2O3S/c1-10-5-6-12(18-2)13(8-10)19(16,17)15-11-4-3-7-14-9-11/h3-9,15H,1-2H3
InChIKeyOLSQAIQMPKVMBE-UHFFFAOYSA-N
XLogP2.20
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-methyl-N-pyridin-3-ylbenzenesulfonamide?
The IUPAC name of 2-methoxy-5-methyl-N-pyridin-3-ylbenzenesulfonamide (CID 645853) is 2-methoxy-5-methyl-N-pyridin-3-ylbenzenesulfonamide.
What is the SMILES notation for 2-methoxy-5-methyl-N-pyridin-3-ylbenzenesulfonamide?
The canonical SMILES for 2-methoxy-5-methyl-N-pyridin-3-ylbenzenesulfonamide is COc1ccc(C)cc1S(=O)(=O)Nc1cccnc1.
What is the InChIKey of 2-methoxy-5-methyl-N-pyridin-3-ylbenzenesulfonamide?
The InChIKey is OLSQAIQMPKVMBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c1-10-5-6-12(18-2)13(8-10)19(16,17)15-11-4-3-7-14-9-11/h3-9,15H,1-2H3.
What are the key properties of 2-methoxy-5-methyl-N-pyridin-3-ylbenzenesulfonamide?
2-methoxy-5-methyl-N-pyridin-3-ylbenzenesulfonamide has a molecular weight of 278.33 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-methyl-N-pyridin-3-ylbenzenesulfonamide is sourced from PubChem (CID 645853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).