N-[3-(1,5-dimethyl-6-oxo-3-pyridinyl)phenyl]ethanesulfonamide

C15H18N2O3S — CID 146600167

IUPACN-[3-(1,5-dimethyl-6-oxo-3-pyridinyl)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cccc(-c2cc(C)c(=O)n(C)c2)c1
InChIInChI=1S/C15H18N2O3S/c1-4-21(19,20)16-14-7-5-6-12(9-14)13-8-11(2)15(18)17(3)10-13/h5-10,16H,4H2,1-3H3
InChIKeyNKBNCLKGRYMNGV-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.12
Rot. Bonds4

About N-[3-(1,5-dimethyl-6-oxo-3-pyridinyl)phenyl]ethanesulfonamide

N-[3-(1,5-dimethyl-6-oxo-3-pyridinyl)phenyl]ethanesulfonamide (PubChem CID 146600167) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-[3-(1,5-dimethyl-6-oxo-3-pyridinyl)phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[3-(1,5-dimethyl-6-oxo-3-pyridinyl)phenyl]ethanesulfonamide
PubChem CID146600167
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC NameN-[3-(1,5-dimethyl-6-oxo-3-pyridinyl)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cccc(-c2cc(C)c(=O)n(C)c2)c1
InChIInChI=1S/C15H18N2O3S/c1-4-21(19,20)16-14-7-5-6-12(9-14)13-8-11(2)15(18)17(3)10-13/h5-10,16H,4H2,1-3H3
InChIKeyNKBNCLKGRYMNGV-UHFFFAOYSA-N
XLogP2.12
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2-methyl-1-oxo-1,2-dihydroisoquinolin-4-yl)phenyl]ethanesulfonamide
CID 118021879
US10023592, Example 29
CID 118021357
US10023592, Example 28
CID 118021399
N-(1-methyl-2-oxoquinolin-6-yl)cyclopropanesulfonamide
CID 118918717
N-(1-methyl-2-oxoquinolin-6-yl)cyclohexanesulfonamide
CID 118918719
N-(1-methyl-2-oxoquinolin-6-yl)ethanesulfonamide
CID 118918698
N-(1-methyl-2-oxoquinolin-6-yl)propane-2-sulfonamide
CID 118918739
5-chloro-N-(2-fluoro-5-phenylphenyl)-1-methyl-2-oxopyridine-3-sulfonamide
CID 146545919
N-[3-[(4-oxo-5,6,7,8-tetrahydro-1H-phthalazin-1-yl)methyl]phenyl]propane-2-sulfonamide
CID 124220951
N-Benzyl-3-[(propane-2-sulfonyl)amino]benzamide
CID 13321990
N-[3-(1-methyl-6-oxopyridin-3-yl)phenyl]methanesulfonamide
CID 118021604
US10023592, Example 95
CID 118021911

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,5-dimethyl-6-oxo-3-pyridinyl)phenyl]ethanesulfonamide?
The IUPAC name of N-[3-(1,5-dimethyl-6-oxo-3-pyridinyl)phenyl]ethanesulfonamide (CID 146600167) is N-[3-(1,5-dimethyl-6-oxo-3-pyridinyl)phenyl]ethanesulfonamide.
What is the SMILES notation for N-[3-(1,5-dimethyl-6-oxo-3-pyridinyl)phenyl]ethanesulfonamide?
The canonical SMILES for N-[3-(1,5-dimethyl-6-oxo-3-pyridinyl)phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1cccc(-c2cc(C)c(=O)n(C)c2)c1.
What is the InChIKey of N-[3-(1,5-dimethyl-6-oxo-3-pyridinyl)phenyl]ethanesulfonamide?
The InChIKey is NKBNCLKGRYMNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-4-21(19,20)16-14-7-5-6-12(9-14)13-8-11(2)15(18)17(3)10-13/h5-10,16H,4H2,1-3H3.
What are the key properties of N-[3-(1,5-dimethyl-6-oxo-3-pyridinyl)phenyl]ethanesulfonamide?
N-[3-(1,5-dimethyl-6-oxo-3-pyridinyl)phenyl]ethanesulfonamide has a molecular weight of 306.39 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,5-dimethyl-6-oxo-3-pyridinyl)phenyl]ethanesulfonamide is sourced from PubChem (CID 146600167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).