N-[5-(2-aminopyrimidin-5-yl)-3-pyridinyl]-4-methoxybenzenesulfonamide

C16H15N5O3S — CID 57390852

IUPACN-[5-(2-aminopyrimidin-5-yl)-3-pyridinyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cncc(-c3cnc(N)nc3)c2)cc1
InChIInChI=1S/C16H15N5O3S/c1-24-14-2-4-15(5-3-14)25(22,23)21-13-6-11(7-18-10-13)12-8-19-16(17)20-9-12/h2-10,21H,1H3,(H2,17,19,20)
InChIKeyUEONHNHBDUUBHC-UHFFFAOYSA-N
MW357.40 g/mol
LogP1.93
Rot. Bonds5

About N-[5-(2-aminopyrimidin-5-yl)-3-pyridinyl]-4-methoxybenzenesulfonamide

N-[5-(2-aminopyrimidin-5-yl)-3-pyridinyl]-4-methoxybenzenesulfonamide (PubChem CID 57390852) has the molecular formula C16H15N5O3S and a molecular weight of 357.40 g/mol. Its IUPAC name is N-[5-(2-aminopyrimidin-5-yl)-3-pyridinyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[5-(2-aminopyrimidin-5-yl)-3-pyridinyl]-4-methoxybenzenesulfonamide
PubChem CID57390852
Molecular FormulaC16H15N5O3S
Molecular Weight357.40 g/mol
Exact Mass357.09
IUPAC NameN-[5-(2-aminopyrimidin-5-yl)-3-pyridinyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cncc(-c3cnc(N)nc3)c2)cc1
InChIInChI=1S/C16H15N5O3S/c1-24-14-2-4-15(5-3-14)25(22,23)21-13-6-11(7-18-10-13)12-8-19-16(17)20-9-12/h2-10,21H,1H3,(H2,17,19,20)
InChIKeyUEONHNHBDUUBHC-UHFFFAOYSA-N
XLogP1.93
TPSA120.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.40
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-aminopyrimidin-5-yl)-3-pyridinyl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[5-(2-aminopyrimidin-5-yl)-3-pyridinyl]-4-methoxybenzenesulfonamide (CID 57390852) is N-[5-(2-aminopyrimidin-5-yl)-3-pyridinyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[5-(2-aminopyrimidin-5-yl)-3-pyridinyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[5-(2-aminopyrimidin-5-yl)-3-pyridinyl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cncc(-c3cnc(N)nc3)c2)cc1.
What is the InChIKey of N-[5-(2-aminopyrimidin-5-yl)-3-pyridinyl]-4-methoxybenzenesulfonamide?
The InChIKey is UEONHNHBDUUBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O3S/c1-24-14-2-4-15(5-3-14)25(22,23)21-13-6-11(7-18-10-13)12-8-19-16(17)20-9-12/h2-10,21H,1H3,(H2,17,19,20).
What are the key properties of N-[5-(2-aminopyrimidin-5-yl)-3-pyridinyl]-4-methoxybenzenesulfonamide?
N-[5-(2-aminopyrimidin-5-yl)-3-pyridinyl]-4-methoxybenzenesulfonamide has a molecular weight of 357.40 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-aminopyrimidin-5-yl)-3-pyridinyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 57390852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).