2-amino-3-(benzenesulfonyl)-1-methylquinolin-4-one

C16H14N2O3S — CID 12554174

IUPAC2-amino-3-(benzenesulfonyl)-1-methylquinolin-4-one
SMILESCn1c(N)c(S(=O)(=O)c2ccccc2)c(=O)c2ccccc21
InChIInChI=1S/C16H14N2O3S/c1-18-13-10-6-5-9-12(13)14(19)15(16(18)17)22(20,21)11-7-3-2-4-8-11/h2-10H,17H2,1H3
InChIKeyYJKOGPSLUXPMKS-UHFFFAOYSA-N
MW314.37 g/mol
LogP1.95
Rot. Bonds2

About 2-amino-3-(benzenesulfonyl)-1-methylquinolin-4-one

2-amino-3-(benzenesulfonyl)-1-methylquinolin-4-one (PubChem CID 12554174) has the molecular formula C16H14N2O3S and a molecular weight of 314.37 g/mol. Its IUPAC name is 2-amino-3-(benzenesulfonyl)-1-methylquinolin-4-one.

Molecular Properties

Compound Name2-amino-3-(benzenesulfonyl)-1-methylquinolin-4-one
PubChem CID12554174
Molecular FormulaC16H14N2O3S
Molecular Weight314.37 g/mol
Exact Mass314.07
IUPAC Name2-amino-3-(benzenesulfonyl)-1-methylquinolin-4-one
SMILESCn1c(N)c(S(=O)(=O)c2ccccc2)c(=O)c2ccccc21
InChIInChI=1S/C16H14N2O3S/c1-18-13-10-6-5-9-12(13)14(19)15(16(18)17)22(20,21)11-7-3-2-4-8-11/h2-10H,17H2,1H3
InChIKeyYJKOGPSLUXPMKS-UHFFFAOYSA-N
XLogP1.95
TPSA82.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(benzenesulfonyl)-1-methylquinolin-4-one?
The IUPAC name of 2-amino-3-(benzenesulfonyl)-1-methylquinolin-4-one (CID 12554174) is 2-amino-3-(benzenesulfonyl)-1-methylquinolin-4-one.
What is the SMILES notation for 2-amino-3-(benzenesulfonyl)-1-methylquinolin-4-one?
The canonical SMILES for 2-amino-3-(benzenesulfonyl)-1-methylquinolin-4-one is Cn1c(N)c(S(=O)(=O)c2ccccc2)c(=O)c2ccccc21.
What is the InChIKey of 2-amino-3-(benzenesulfonyl)-1-methylquinolin-4-one?
The InChIKey is YJKOGPSLUXPMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3S/c1-18-13-10-6-5-9-12(13)14(19)15(16(18)17)22(20,21)11-7-3-2-4-8-11/h2-10H,17H2,1H3.
What are the key properties of 2-amino-3-(benzenesulfonyl)-1-methylquinolin-4-one?
2-amino-3-(benzenesulfonyl)-1-methylquinolin-4-one has a molecular weight of 314.37 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(benzenesulfonyl)-1-methylquinolin-4-one is sourced from PubChem (CID 12554174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).