4-methyl-N-(6-pyridin-3-yloxy-3-pyridinyl)benzenesulfonamide

C17H15N3O3S — CID 2800181

IUPAC4-methyl-N-(6-pyridin-3-yloxy-3-pyridinyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Oc3cccnc3)nc2)cc1
InChIInChI=1S/C17H15N3O3S/c1-13-4-7-16(8-5-13)24(21,22)20-14-6-9-17(19-11-14)23-15-3-2-10-18-12-15/h2-12,20H,1H3
InChIKeyNLVRMDJXRYCXFY-UHFFFAOYSA-N
MW341.39 g/mol
LogP3.38
Rot. Bonds5

About 4-methyl-N-(6-pyridin-3-yloxy-3-pyridinyl)benzenesulfonamide

4-methyl-N-(6-pyridin-3-yloxy-3-pyridinyl)benzenesulfonamide (PubChem CID 2800181) has the molecular formula C17H15N3O3S and a molecular weight of 341.39 g/mol. Its IUPAC name is 4-methyl-N-(6-pyridin-3-yloxy-3-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(6-pyridin-3-yloxy-3-pyridinyl)benzenesulfonamide
PubChem CID2800181
Molecular FormulaC17H15N3O3S
Molecular Weight341.39 g/mol
Exact Mass341.08
IUPAC Name4-methyl-N-(6-pyridin-3-yloxy-3-pyridinyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Oc3cccnc3)nc2)cc1
InChIInChI=1S/C17H15N3O3S/c1-13-4-7-16(8-5-13)24(21,22)20-14-6-9-17(19-11-14)23-15-3-2-10-18-12-15/h2-12,20H,1H3
InChIKeyNLVRMDJXRYCXFY-UHFFFAOYSA-N
XLogP3.38
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(6-pyridin-3-yloxy-3-pyridinyl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(6-pyridin-3-yloxy-3-pyridinyl)benzenesulfonamide (CID 2800181) is 4-methyl-N-(6-pyridin-3-yloxy-3-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(6-pyridin-3-yloxy-3-pyridinyl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(6-pyridin-3-yloxy-3-pyridinyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(Oc3cccnc3)nc2)cc1.
What is the InChIKey of 4-methyl-N-(6-pyridin-3-yloxy-3-pyridinyl)benzenesulfonamide?
The InChIKey is NLVRMDJXRYCXFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3S/c1-13-4-7-16(8-5-13)24(21,22)20-14-6-9-17(19-11-14)23-15-3-2-10-18-12-15/h2-12,20H,1H3.
What are the key properties of 4-methyl-N-(6-pyridin-3-yloxy-3-pyridinyl)benzenesulfonamide?
4-methyl-N-(6-pyridin-3-yloxy-3-pyridinyl)benzenesulfonamide has a molecular weight of 341.39 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(6-pyridin-3-yloxy-3-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 2800181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).