6-morpholin-4-yl-N,N-bis(pyridin-2-ylmethyl)pyridine-3-sulfonamide

C21H23N5O3S — CID 2738754

IUPAC6-morpholin-4-yl-N,N-bis(pyridin-2-ylmethyl)pyridine-3-sulfonamide
SMILESO=S(=O)(c1ccc(N2CCOCC2)nc1)N(Cc1ccccn1)Cc1ccccn1
InChIInChI=1S/C21H23N5O3S/c27-30(28,20-7-8-21(24-15-20)25-11-13-29-14-12-25)26(16-18-5-1-3-9-22-18)17-19-6-2-4-10-23-19/h1-10,15H,11-14,16-17H2
InChIKeyHBDFVLWQVVDRLG-UHFFFAOYSA-N
MW425.51 g/mol
LogP2.10
Rot. Bonds7

About 6-morpholin-4-yl-N,N-bis(pyridin-2-ylmethyl)pyridine-3-sulfonamide

6-morpholin-4-yl-N,N-bis(pyridin-2-ylmethyl)pyridine-3-sulfonamide (PubChem CID 2738754) has the molecular formula C21H23N5O3S and a molecular weight of 425.51 g/mol. Its IUPAC name is 6-morpholin-4-yl-N,N-bis(pyridin-2-ylmethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-morpholin-4-yl-N,N-bis(pyridin-2-ylmethyl)pyridine-3-sulfonamide
PubChem CID2738754
Molecular FormulaC21H23N5O3S
Molecular Weight425.51 g/mol
Exact Mass425.15
IUPAC Name6-morpholin-4-yl-N,N-bis(pyridin-2-ylmethyl)pyridine-3-sulfonamide
SMILESO=S(=O)(c1ccc(N2CCOCC2)nc1)N(Cc1ccccn1)Cc1ccccn1
InChIInChI=1S/C21H23N5O3S/c27-30(28,20-7-8-21(24-15-20)25-11-13-29-14-12-25)26(16-18-5-1-3-9-22-18)17-19-6-2-4-10-23-19/h1-10,15H,11-14,16-17H2
InChIKeyHBDFVLWQVVDRLG-UHFFFAOYSA-N
XLogP2.10
TPSA88.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-morpholin-4-yl-N,N-bis(pyridin-2-ylmethyl)pyridine-3-sulfonamide?
The IUPAC name of 6-morpholin-4-yl-N,N-bis(pyridin-2-ylmethyl)pyridine-3-sulfonamide (CID 2738754) is 6-morpholin-4-yl-N,N-bis(pyridin-2-ylmethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-morpholin-4-yl-N,N-bis(pyridin-2-ylmethyl)pyridine-3-sulfonamide?
The canonical SMILES for 6-morpholin-4-yl-N,N-bis(pyridin-2-ylmethyl)pyridine-3-sulfonamide is O=S(=O)(c1ccc(N2CCOCC2)nc1)N(Cc1ccccn1)Cc1ccccn1.
What is the InChIKey of 6-morpholin-4-yl-N,N-bis(pyridin-2-ylmethyl)pyridine-3-sulfonamide?
The InChIKey is HBDFVLWQVVDRLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3S/c27-30(28,20-7-8-21(24-15-20)25-11-13-29-14-12-25)26(16-18-5-1-3-9-22-18)17-19-6-2-4-10-23-19/h1-10,15H,11-14,16-17H2.
What are the key properties of 6-morpholin-4-yl-N,N-bis(pyridin-2-ylmethyl)pyridine-3-sulfonamide?
6-morpholin-4-yl-N,N-bis(pyridin-2-ylmethyl)pyridine-3-sulfonamide has a molecular weight of 425.51 g/mol, XLogP of 2.10, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-morpholin-4-yl-N,N-bis(pyridin-2-ylmethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 2738754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).