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

C16H15N5O2S — CID 54764846

IUPACN-[5-(2-aminopyrimidin-5-yl)-3-pyridinyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cncc(-c3cnc(N)nc3)c2)cc1
InChIInChI=1S/C16H15N5O2S/c1-11-2-4-15(5-3-11)24(22,23)21-14-6-12(7-18-10-14)13-8-19-16(17)20-9-13/h2-10,21H,1H3,(H2,17,19,20)
InChIKeyVDYLONLMKRMLBV-UHFFFAOYSA-N
MW341.40 g/mol
LogP2.23
Rot. Bonds4

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

N-[5-(2-aminopyrimidin-5-yl)-3-pyridinyl]-4-methylbenzenesulfonamide (PubChem CID 54764846) has the molecular formula C16H15N5O2S and a molecular weight of 341.40 g/mol. Its IUPAC name is N-[5-(2-aminopyrimidin-5-yl)-3-pyridinyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[5-(2-aminopyrimidin-5-yl)-3-pyridinyl]-4-methylbenzenesulfonamide
PubChem CID54764846
Molecular FormulaC16H15N5O2S
Molecular Weight341.40 g/mol
Exact Mass341.09
IUPAC NameN-[5-(2-aminopyrimidin-5-yl)-3-pyridinyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cncc(-c3cnc(N)nc3)c2)cc1
InChIInChI=1S/C16H15N5O2S/c1-11-2-4-15(5-3-11)24(22,23)21-14-6-12(7-18-10-14)13-8-19-16(17)20-9-13/h2-10,21H,1H3,(H2,17,19,20)
InChIKeyVDYLONLMKRMLBV-UHFFFAOYSA-N
XLogP2.23
TPSA110.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.40
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-aminopyrimidin-5-yl)-3-pyridinyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[5-(2-aminopyrimidin-5-yl)-3-pyridinyl]-4-methylbenzenesulfonamide (CID 54764846) is N-[5-(2-aminopyrimidin-5-yl)-3-pyridinyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[5-(2-aminopyrimidin-5-yl)-3-pyridinyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[5-(2-aminopyrimidin-5-yl)-3-pyridinyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cncc(-c3cnc(N)nc3)c2)cc1.
What is the InChIKey of N-[5-(2-aminopyrimidin-5-yl)-3-pyridinyl]-4-methylbenzenesulfonamide?
The InChIKey is VDYLONLMKRMLBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2S/c1-11-2-4-15(5-3-11)24(22,23)21-14-6-12(7-18-10-14)13-8-19-16(17)20-9-13/h2-10,21H,1H3,(H2,17,19,20).
What are the key properties of N-[5-(2-aminopyrimidin-5-yl)-3-pyridinyl]-4-methylbenzenesulfonamide?
N-[5-(2-aminopyrimidin-5-yl)-3-pyridinyl]-4-methylbenzenesulfonamide has a molecular weight of 341.40 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-aminopyrimidin-5-yl)-3-pyridinyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 54764846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).