4-(aminomethyl)-1-(benzenesulfonyl)-3-hydroxypyridin-2-one

C12H12N2O4S — CID 58252424

IUPAC4-(aminomethyl)-1-(benzenesulfonyl)-3-hydroxypyridin-2-one
SMILESNCc1ccn(S(=O)(=O)c2ccccc2)c(=O)c1O
InChIInChI=1S/C12H12N2O4S/c13-8-9-6-7-14(12(16)11(9)15)19(17,18)10-4-2-1-3-5-10/h1-7,15H,8,13H2
InChIKeyOXMHAQJLSRMDMQ-UHFFFAOYSA-N
MW280.31 g/mol
LogP0.25
Rot. Bonds3

About 4-(aminomethyl)-1-(benzenesulfonyl)-3-hydroxypyridin-2-one

4-(aminomethyl)-1-(benzenesulfonyl)-3-hydroxypyridin-2-one (PubChem CID 58252424) has the molecular formula C12H12N2O4S and a molecular weight of 280.31 g/mol. Its IUPAC name is 4-(aminomethyl)-1-(benzenesulfonyl)-3-hydroxypyridin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-1-(benzenesulfonyl)-3-hydroxypyridin-2-one
PubChem CID58252424
Molecular FormulaC12H12N2O4S
Molecular Weight280.31 g/mol
Exact Mass280.05
IUPAC Name4-(aminomethyl)-1-(benzenesulfonyl)-3-hydroxypyridin-2-one
SMILESNCc1ccn(S(=O)(=O)c2ccccc2)c(=O)c1O
InChIInChI=1S/C12H12N2O4S/c13-8-9-6-7-14(12(16)11(9)15)19(17,18)10-4-2-1-3-5-10/h1-7,15H,8,13H2
InChIKeyOXMHAQJLSRMDMQ-UHFFFAOYSA-N
XLogP0.25
TPSA102.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-(benzenesulfonyl)-3-hydroxypyridin-2-one?
The IUPAC name of 4-(aminomethyl)-1-(benzenesulfonyl)-3-hydroxypyridin-2-one (CID 58252424) is 4-(aminomethyl)-1-(benzenesulfonyl)-3-hydroxypyridin-2-one.
What is the SMILES notation for 4-(aminomethyl)-1-(benzenesulfonyl)-3-hydroxypyridin-2-one?
The canonical SMILES for 4-(aminomethyl)-1-(benzenesulfonyl)-3-hydroxypyridin-2-one is NCc1ccn(S(=O)(=O)c2ccccc2)c(=O)c1O.
What is the InChIKey of 4-(aminomethyl)-1-(benzenesulfonyl)-3-hydroxypyridin-2-one?
The InChIKey is OXMHAQJLSRMDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4S/c13-8-9-6-7-14(12(16)11(9)15)19(17,18)10-4-2-1-3-5-10/h1-7,15H,8,13H2.
What are the key properties of 4-(aminomethyl)-1-(benzenesulfonyl)-3-hydroxypyridin-2-one?
4-(aminomethyl)-1-(benzenesulfonyl)-3-hydroxypyridin-2-one has a molecular weight of 280.31 g/mol, XLogP of 0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-(benzenesulfonyl)-3-hydroxypyridin-2-one is sourced from PubChem (CID 58252424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).