N-ethyl-3-[[4-(2-methoxy-3-pyridinyl)pyrimidin-2-yl]amino]benzenesulfonamide

C18H19N5O3S — CID 24989041

IUPACN-ethyl-3-[[4-(2-methoxy-3-pyridinyl)pyrimidin-2-yl]amino]benzenesulfonamide
SMILESCCNS(=O)(=O)c1cccc(Nc2nccc(-c3cccnc3OC)n2)c1
InChIInChI=1S/C18H19N5O3S/c1-3-21-27(24,25)14-7-4-6-13(12-14)22-18-20-11-9-16(23-18)15-8-5-10-19-17(15)26-2/h4-12,21H,3H2,1-2H3,(H,20,22,23)
InChIKeyPTAIXSXAQJVIIY-UHFFFAOYSA-N
MW385.45 g/mol
LogP2.59
Rot. Bonds7

About N-ethyl-3-[[4-(2-methoxy-3-pyridinyl)pyrimidin-2-yl]amino]benzenesulfonamide

N-ethyl-3-[[4-(2-methoxy-3-pyridinyl)pyrimidin-2-yl]amino]benzenesulfonamide (PubChem CID 24989041) has the molecular formula C18H19N5O3S and a molecular weight of 385.45 g/mol. Its IUPAC name is N-ethyl-3-[[4-(2-methoxy-3-pyridinyl)pyrimidin-2-yl]amino]benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-3-[[4-(2-methoxy-3-pyridinyl)pyrimidin-2-yl]amino]benzenesulfonamide
PubChem CID24989041
Molecular FormulaC18H19N5O3S
Molecular Weight385.45 g/mol
Exact Mass385.12
IUPAC NameN-ethyl-3-[[4-(2-methoxy-3-pyridinyl)pyrimidin-2-yl]amino]benzenesulfonamide
SMILESCCNS(=O)(=O)c1cccc(Nc2nccc(-c3cccnc3OC)n2)c1
InChIInChI=1S/C18H19N5O3S/c1-3-21-27(24,25)14-7-4-6-13(12-14)22-18-20-11-9-16(23-18)15-8-5-10-19-17(15)26-2/h4-12,21H,3H2,1-2H3,(H,20,22,23)
InChIKeyPTAIXSXAQJVIIY-UHFFFAOYSA-N
XLogP2.59
TPSA106.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[[4-(2-methoxy-3-pyridinyl)pyrimidin-2-yl]amino]benzenesulfonamide?
The IUPAC name of N-ethyl-3-[[4-(2-methoxy-3-pyridinyl)pyrimidin-2-yl]amino]benzenesulfonamide (CID 24989041) is N-ethyl-3-[[4-(2-methoxy-3-pyridinyl)pyrimidin-2-yl]amino]benzenesulfonamide.
What is the SMILES notation for N-ethyl-3-[[4-(2-methoxy-3-pyridinyl)pyrimidin-2-yl]amino]benzenesulfonamide?
The canonical SMILES for N-ethyl-3-[[4-(2-methoxy-3-pyridinyl)pyrimidin-2-yl]amino]benzenesulfonamide is CCNS(=O)(=O)c1cccc(Nc2nccc(-c3cccnc3OC)n2)c1.
What is the InChIKey of N-ethyl-3-[[4-(2-methoxy-3-pyridinyl)pyrimidin-2-yl]amino]benzenesulfonamide?
The InChIKey is PTAIXSXAQJVIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3S/c1-3-21-27(24,25)14-7-4-6-13(12-14)22-18-20-11-9-16(23-18)15-8-5-10-19-17(15)26-2/h4-12,21H,3H2,1-2H3,(H,20,22,23).
What are the key properties of N-ethyl-3-[[4-(2-methoxy-3-pyridinyl)pyrimidin-2-yl]amino]benzenesulfonamide?
N-ethyl-3-[[4-(2-methoxy-3-pyridinyl)pyrimidin-2-yl]amino]benzenesulfonamide has a molecular weight of 385.45 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[[4-(2-methoxy-3-pyridinyl)pyrimidin-2-yl]amino]benzenesulfonamide is sourced from PubChem (CID 24989041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).