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

C18H18N4O3S — CID 25192277

IUPAC4-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]benzenesulfonamide
SMILESCc1ccc(Oc2ccnc(Nc3ccc(S(N)(=O)=O)cc3)c2)c(C)n1
InChIInChI=1S/C18H18N4O3S/c1-12-3-8-17(13(2)21-12)25-15-9-10-20-18(11-15)22-14-4-6-16(7-5-14)26(19,23)24/h3-11H,1-2H3,(H,20,22)(H2,19,23,24)
InChIKeyUEOZXMAOIHDDQE-UHFFFAOYSA-N
MW370.43 g/mol
LogP3.28
Rot. Bonds5

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

4-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]benzenesulfonamide (PubChem CID 25192277) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is 4-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]benzenesulfonamide
PubChem CID25192277
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC Name4-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]benzenesulfonamide
SMILESCc1ccc(Oc2ccnc(Nc3ccc(S(N)(=O)=O)cc3)c2)c(C)n1
InChIInChI=1S/C18H18N4O3S/c1-12-3-8-17(13(2)21-12)25-15-9-10-20-18(11-15)22-14-4-6-16(7-5-14)26(19,23)24/h3-11H,1-2H3,(H,20,22)(H2,19,23,24)
InChIKeyUEOZXMAOIHDDQE-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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Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]benzenesulfonamide?
The IUPAC name of 4-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]benzenesulfonamide (CID 25192277) is 4-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]benzenesulfonamide.
What is the SMILES notation for 4-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]benzenesulfonamide?
The canonical SMILES for 4-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]benzenesulfonamide is Cc1ccc(Oc2ccnc(Nc3ccc(S(N)(=O)=O)cc3)c2)c(C)n1.
What is the InChIKey of 4-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]benzenesulfonamide?
The InChIKey is UEOZXMAOIHDDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S/c1-12-3-8-17(13(2)21-12)25-15-9-10-20-18(11-15)22-14-4-6-16(7-5-14)26(19,23)24/h3-11H,1-2H3,(H,20,22)(H2,19,23,24).
What are the key properties of 4-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]benzenesulfonamide?
4-[[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 4-[[4-[(2,6-dimethyl-3-pyridinyl)oxy]-2-pyridinyl]amino]benzenesulfonamide is sourced from PubChem (CID 25192277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).