4-[[4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-2-pyridinyl]amino]benzenesulfonamide

C23H21N5O3S — CID 25192275

IUPAC4-[[4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-2-pyridinyl]amino]benzenesulfonamide
SMILESCc1cc(Oc2ccnc(Nc3ccc(S(N)(=O)=O)cc3)c2)c(-c2ccccn2)nc1C
InChIInChI=1S/C23H21N5O3S/c1-15-13-21(23(27-16(15)2)20-5-3-4-11-25-20)31-18-10-12-26-22(14-18)28-17-6-8-19(9-7-17)32(24,29)30/h3-14H,1-2H3,(H,26,28)(H2,24,29,30)
InChIKeyMOALCIOHALXUMT-UHFFFAOYSA-N
MW447.52 g/mol
LogP4.34
Rot. Bonds6

About 4-[[4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-2-pyridinyl]amino]benzenesulfonamide

4-[[4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-2-pyridinyl]amino]benzenesulfonamide (PubChem CID 25192275) has the molecular formula C23H21N5O3S and a molecular weight of 447.52 g/mol. Its IUPAC name is 4-[[4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-2-pyridinyl]amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[[4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-2-pyridinyl]amino]benzenesulfonamide
PubChem CID25192275
Molecular FormulaC23H21N5O3S
Molecular Weight447.52 g/mol
Exact Mass447.14
IUPAC Name4-[[4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-2-pyridinyl]amino]benzenesulfonamide
SMILESCc1cc(Oc2ccnc(Nc3ccc(S(N)(=O)=O)cc3)c2)c(-c2ccccn2)nc1C
InChIInChI=1S/C23H21N5O3S/c1-15-13-21(23(27-16(15)2)20-5-3-4-11-25-20)31-18-10-12-26-22(14-18)28-17-6-8-19(9-7-17)32(24,29)30/h3-14H,1-2H3,(H,26,28)(H2,24,29,30)
InChIKeyMOALCIOHALXUMT-UHFFFAOYSA-N
XLogP4.34
TPSA120.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.52
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[[4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-2-pyridinyl]amino]benzenesulfonamide with MolForge

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Related Compounds

4-({4-[(2,6-Dimethylpyridin-3-yl)oxy]pyridin-2-yl}amino)benzenesulfonamide
CID 25192277
4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-N-(2-methoxyphenyl)pyridin-2-amine
CID 44521019
4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-N-(2-morpholin-4-ylphenyl)pyridin-2-amine
CID 44521020
4-(5,6-Dimethyl-2-pyridin-2-yl-pyridin-3-yl)oxy-N-(3-methoxyphenyl)pyridin-2-amine
CID 44521021
4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-N-(3-morpholin-4-ylphenyl)pyridin-2-amine
CID 44521022
4-(5,6-Dimethyl-2-pyridin-2-yl-pyridin-3-yl)oxy-N-(4-methoxyphenyl)pyridin-2-amine
CID 44521023
4-(5,6-Dimethyl-2-pyridin-2-yl-pyridin-3-yl)oxy-N-(4-morpholin-4-ylphenyl)pyridin-2-amine
CID 44521024
4-(5,6-Dimethyl-2-pyridin-2-yl-pyridin-3-yl)oxy-N-(4-fluorophenyl)pyridin-2-amine
CID 44521026
N-[3-(benzyloxy)pyridin-2-yl]benzenesulfonamide
CID 4338178
1-(3-Benzyloxy-2-pyridyl)-3-[4-(methylsulfamoyl)phenyl]urea
CID 11567780
1-(3-Benzyloxy-2-pyridyl)-3-(4-sulfamoylphenyl)urea
CID 11632684
5'-ethoxy-N-(6-methylpyridin-2-yl)-2,3'-bipyridin-6'-amine
CID 11220495

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-2-pyridinyl]amino]benzenesulfonamide?
The IUPAC name of 4-[[4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-2-pyridinyl]amino]benzenesulfonamide (CID 25192275) is 4-[[4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-2-pyridinyl]amino]benzenesulfonamide.
What is the SMILES notation for 4-[[4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-2-pyridinyl]amino]benzenesulfonamide?
The canonical SMILES for 4-[[4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-2-pyridinyl]amino]benzenesulfonamide is Cc1cc(Oc2ccnc(Nc3ccc(S(N)(=O)=O)cc3)c2)c(-c2ccccn2)nc1C.
What is the InChIKey of 4-[[4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-2-pyridinyl]amino]benzenesulfonamide?
The InChIKey is MOALCIOHALXUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O3S/c1-15-13-21(23(27-16(15)2)20-5-3-4-11-25-20)31-18-10-12-26-22(14-18)28-17-6-8-19(9-7-17)32(24,29)30/h3-14H,1-2H3,(H,26,28)(H2,24,29,30).
What are the key properties of 4-[[4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-2-pyridinyl]amino]benzenesulfonamide?
4-[[4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-2-pyridinyl]amino]benzenesulfonamide has a molecular weight of 447.52 g/mol, XLogP of 4.34, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-2-pyridinyl]amino]benzenesulfonamide is sourced from PubChem (CID 25192275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).