N-[[4-(6-amino-2-pyridinyl)phenyl]methyl]methanesulfonamide

C13H15N3O2S — CID 59166205

IUPACN-[[4-(6-amino-2-pyridinyl)phenyl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1ccc(-c2cccc(N)n2)cc1
InChIInChI=1S/C13H15N3O2S/c1-19(17,18)15-9-10-5-7-11(8-6-10)12-3-2-4-13(14)16-12/h2-8,15H,9H2,1H3,(H2,14,16)
InChIKeyHFZXWNATZXMMIV-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.38
Rot. Bonds4

About N-[[4-(6-amino-2-pyridinyl)phenyl]methyl]methanesulfonamide

N-[[4-(6-amino-2-pyridinyl)phenyl]methyl]methanesulfonamide (PubChem CID 59166205) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is N-[[4-(6-amino-2-pyridinyl)phenyl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[4-(6-amino-2-pyridinyl)phenyl]methyl]methanesulfonamide
PubChem CID59166205
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC NameN-[[4-(6-amino-2-pyridinyl)phenyl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1ccc(-c2cccc(N)n2)cc1
InChIInChI=1S/C13H15N3O2S/c1-19(17,18)15-9-10-5-7-11(8-6-10)12-3-2-4-13(14)16-12/h2-8,15H,9H2,1H3,(H2,14,16)
InChIKeyHFZXWNATZXMMIV-UHFFFAOYSA-N
XLogP1.38
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(6-amino-2-pyridinyl)phenyl]methyl]methanesulfonamide?
The IUPAC name of N-[[4-(6-amino-2-pyridinyl)phenyl]methyl]methanesulfonamide (CID 59166205) is N-[[4-(6-amino-2-pyridinyl)phenyl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[4-(6-amino-2-pyridinyl)phenyl]methyl]methanesulfonamide?
The canonical SMILES for N-[[4-(6-amino-2-pyridinyl)phenyl]methyl]methanesulfonamide is CS(=O)(=O)NCc1ccc(-c2cccc(N)n2)cc1.
What is the InChIKey of N-[[4-(6-amino-2-pyridinyl)phenyl]methyl]methanesulfonamide?
The InChIKey is HFZXWNATZXMMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-19(17,18)15-9-10-5-7-11(8-6-10)12-3-2-4-13(14)16-12/h2-8,15H,9H2,1H3,(H2,14,16).
What are the key properties of N-[[4-(6-amino-2-pyridinyl)phenyl]methyl]methanesulfonamide?
N-[[4-(6-amino-2-pyridinyl)phenyl]methyl]methanesulfonamide has a molecular weight of 277.35 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(6-amino-2-pyridinyl)phenyl]methyl]methanesulfonamide is sourced from PubChem (CID 59166205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).