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

C18H18N4O3S — CID 59543950

IUPAC2-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]benzenesulfonamide
SMILESCc1ccc(Oc2ccnc(Nc3ccccc3S(N)(=O)=O)c2)c(C)n1
InChIInChI=1S/C18H18N4O3S/c1-12-7-8-16(13(2)21-12)25-14-9-10-20-18(11-14)22-15-5-3-4-6-17(15)26(19,23)24/h3-11H,1-2H3,(H,20,22)(H2,19,23,24)
InChIKeyHBZLVGZDOBKKQV-UHFFFAOYSA-N
MW370.43 g/mol
LogP3.28
Rot. Bonds5

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

2-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]benzenesulfonamide (PubChem CID 59543950) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is 2-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]benzenesulfonamide.

Molecular Properties

Compound Name2-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]benzenesulfonamide
PubChem CID59543950
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC Name2-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]benzenesulfonamide
SMILESCc1ccc(Oc2ccnc(Nc3ccccc3S(N)(=O)=O)c2)c(C)n1
InChIInChI=1S/C18H18N4O3S/c1-12-7-8-16(13(2)21-12)25-14-9-10-20-18(11-14)22-15-5-3-4-6-17(15)26(19,23)24/h3-11H,1-2H3,(H,20,22)(H2,19,23,24)
InChIKeyHBZLVGZDOBKKQV-UHFFFAOYSA-N
XLogP3.28
TPSA107.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(2,6-dimethyl-3-pyridinyl)oxy]-N-phenylpyridin-2-amine
CID 87630526
4-[(2,6-dimethyl-3-pyridinyl)oxy]-N-(4-piperidin-1-ylsulfonylphenyl)pyridin-2-amine
CID 68941098
N-[3-(chloromethyl)phenyl]-4-[(2,6-dimethyl-3-pyridinyl)oxy]pyridin-2-amine
CID 68849847
4-[(2,6-dimethyl-3-pyridinyl)oxy]-N-(3-morpholin-4-ylsulfonylphenyl)pyridin-2-amine
CID 68945631
3-[4-[[3-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]phenyl]methyl]piperazin-1-yl]-3-oxopropanamide
CID 68849766
3-amino-1-[4-[[3-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]phenyl]methyl]piperazin-1-yl]propan-1-one
CID 68944007
2-(pyrimidin-4-ylamino)benzenesulfonamide
CID 69322582
4-[[4-[[2-(4-fluorophenyl)-6-methyl-3-pyridinyl]oxy]-2-pyridinyl]amino]benzamide
CID 68852389
4-(2-chloro-3-fluoro-4-methylphenoxy)-N-pyridin-2-ylpyridin-2-amine
CID 170746530
N-[2-[(3-sulfamoyl-2-pyridinyl)oxy]phenyl]acetamide
CID 115928437
[4-[[2-(3,5-dimethoxyanilino)-4-pyridinyl]oxy]naphthalen-1-yl]carbamic acid
CID 122653084
N-[[5-[(2-acetamido-4-pyridinyl)oxy]-6-methyl-2-pyridinyl]carbamoyl]-2-methoxy-2-methylpropanamide
CID 86272976

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]benzenesulfonamide?
The IUPAC name of 2-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]benzenesulfonamide (CID 59543950) is 2-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]benzenesulfonamide.
What is the SMILES notation for 2-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]benzenesulfonamide?
The canonical SMILES for 2-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]benzenesulfonamide is Cc1ccc(Oc2ccnc(Nc3ccccc3S(N)(=O)=O)c2)c(C)n1.
What is the InChIKey of 2-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]benzenesulfonamide?
The InChIKey is HBZLVGZDOBKKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S/c1-12-7-8-16(13(2)21-12)25-14-9-10-20-18(11-14)22-15-5-3-4-6-17(15)26(19,23)24/h3-11H,1-2H3,(H,20,22)(H2,19,23,24).
What are the key properties of 2-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]benzenesulfonamide?
2-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]benzenesulfonamide has a molecular weight of 370.43 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]benzenesulfonamide is sourced from PubChem (CID 59543950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).