N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-4-ethylbenzenesulfonamide

C16H21N3O3S — CID 121137078

IUPACN-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-4-ethylbenzenesulfonamide
SMILESCCOc1nc(C)c(NS(=O)(=O)c2ccc(CC)cc2)c(C)n1
InChIInChI=1S/C16H21N3O3S/c1-5-13-7-9-14(10-8-13)23(20,21)19-15-11(3)17-16(22-6-2)18-12(15)4/h7-10,19H,5-6H2,1-4H3
InChIKeyFILKGTGTXPFNDP-UHFFFAOYSA-N
MW335.43 g/mol
LogP2.86
Rot. Bonds6

About N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-4-ethylbenzenesulfonamide

N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-4-ethylbenzenesulfonamide (PubChem CID 121137078) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-4-ethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-4-ethylbenzenesulfonamide
PubChem CID121137078
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC NameN-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-4-ethylbenzenesulfonamide
SMILESCCOc1nc(C)c(NS(=O)(=O)c2ccc(CC)cc2)c(C)n1
InChIInChI=1S/C16H21N3O3S/c1-5-13-7-9-14(10-8-13)23(20,21)19-15-11(3)17-16(22-6-2)18-12(15)4/h7-10,19H,5-6H2,1-4H3
InChIKeyFILKGTGTXPFNDP-UHFFFAOYSA-N
XLogP2.86
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(2-ethoxy-4,6-dimethylpyrimidin-5-yl)sulfamoyl]phenyl]acetamide
CID 122355933
3-chloro-N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-4-methoxybenzenesulfonamide
CID 122356165
N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-4-methyl-3,5-dinitrobenzenesulfonamide
CID 122356193
4-methoxy-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)benzenesulfonamide
CID 122302660
4-ethyl-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
CID 17377245
4-ethyl-N-[4-[(2-methylpyrimidin-4-yl)sulfamoyl]phenyl]benzenesulfonamide
CID 19683655
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-ethylbenzenesulfonamide
CID 99165832
4-ethyl-N-[4-[4-[(4-ethylphenyl)sulfonylamino]phenoxy]phenyl]benzenesulfonamide
CID 25047818
3-[(4-ethylphenyl)sulfonylamino]pyrazine-2-carboxylic acid
CID 63260100
N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-4-methoxybenzenesulfonamide
CID 122303656
N-(4,6-dimethylpyrimidin-2-yl)-4-ethoxybenzenesulfonamide
CID 22202469
4-ethyl-N-(6-ethyl-2-pyridinyl)benzenesulfonamide
CID 3256237

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-4-ethylbenzenesulfonamide?
The IUPAC name of N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-4-ethylbenzenesulfonamide (CID 121137078) is N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-4-ethylbenzenesulfonamide.
What is the SMILES notation for N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-4-ethylbenzenesulfonamide?
The canonical SMILES for N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-4-ethylbenzenesulfonamide is CCOc1nc(C)c(NS(=O)(=O)c2ccc(CC)cc2)c(C)n1.
What is the InChIKey of N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-4-ethylbenzenesulfonamide?
The InChIKey is FILKGTGTXPFNDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-5-13-7-9-14(10-8-13)23(20,21)19-15-11(3)17-16(22-6-2)18-12(15)4/h7-10,19H,5-6H2,1-4H3.
What are the key properties of N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-4-ethylbenzenesulfonamide?
N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-4-ethylbenzenesulfonamide has a molecular weight of 335.43 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-4-ethylbenzenesulfonamide is sourced from PubChem (CID 121137078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).