N-(2-ethoxypyrimidin-5-yl)-3-methylbenzenesulfonamide

C13H15N3O3S — CID 122301871

IUPACN-(2-ethoxypyrimidin-5-yl)-3-methylbenzenesulfonamide
SMILESCCOc1ncc(NS(=O)(=O)c2cccc(C)c2)cn1
InChIInChI=1S/C13H15N3O3S/c1-3-19-13-14-8-11(9-15-13)16-20(17,18)12-6-4-5-10(2)7-12/h4-9,16H,3H2,1-2H3
InChIKeyVLRKUNLIOGSYKC-UHFFFAOYSA-N
MW293.35 g/mol
LogP1.98
Rot. Bonds5

About N-(2-ethoxypyrimidin-5-yl)-3-methylbenzenesulfonamide

N-(2-ethoxypyrimidin-5-yl)-3-methylbenzenesulfonamide (PubChem CID 122301871) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is N-(2-ethoxypyrimidin-5-yl)-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-ethoxypyrimidin-5-yl)-3-methylbenzenesulfonamide
PubChem CID122301871
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC NameN-(2-ethoxypyrimidin-5-yl)-3-methylbenzenesulfonamide
SMILESCCOc1ncc(NS(=O)(=O)c2cccc(C)c2)cn1
InChIInChI=1S/C13H15N3O3S/c1-3-19-13-14-8-11(9-15-13)16-20(17,18)12-6-4-5-10(2)7-12/h4-9,16H,3H2,1-2H3
InChIKeyVLRKUNLIOGSYKC-UHFFFAOYSA-N
XLogP1.98
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethoxypyrimidin-5-yl)-3-fluorobenzenesulfonamide
CID 122301898
N-[6-(2-ethoxyanilino)-3-pyridinyl]-3-methylbenzenesulfonamide
CID 113019654
N-[5-(2-ethoxyanilino)-2-pyridinyl]-3-methylbenzenesulfonamide
CID 113034319
N-(2-ethoxypyrimidin-5-yl)naphthalene-1-sulfonamide
CID 122302123
N-(2-ethoxypyrimidin-5-yl)-4-nitrobenzenesulfonamide
CID 122302186
3-methyl-N-[6-(pentylamino)-3-pyridinyl]benzenesulfonamide
CID 113015298
N-[5-(tert-butylamino)-2-pyridinyl]-3-methylbenzenesulfonamide
CID 113030068
N-(2-ethoxypyrimidin-5-yl)-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 122302129
N-(2-ethoxypyrimidin-5-yl)-2,5-difluorobenzenesulfonamide
CID 122302105
N-(5-fluoro-3-pyridinyl)-3-methylbenzenesulfonamide
CID 110872378
N-(2-methoxypyrimidin-5-yl)-2,4-dimethylbenzenesulfonamide
CID 91968392
4-ethoxy-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3-methylbenzenesulfonamide
CID 122303147

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxypyrimidin-5-yl)-3-methylbenzenesulfonamide?
The IUPAC name of N-(2-ethoxypyrimidin-5-yl)-3-methylbenzenesulfonamide (CID 122301871) is N-(2-ethoxypyrimidin-5-yl)-3-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-ethoxypyrimidin-5-yl)-3-methylbenzenesulfonamide?
The canonical SMILES for N-(2-ethoxypyrimidin-5-yl)-3-methylbenzenesulfonamide is CCOc1ncc(NS(=O)(=O)c2cccc(C)c2)cn1.
What is the InChIKey of N-(2-ethoxypyrimidin-5-yl)-3-methylbenzenesulfonamide?
The InChIKey is VLRKUNLIOGSYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c1-3-19-13-14-8-11(9-15-13)16-20(17,18)12-6-4-5-10(2)7-12/h4-9,16H,3H2,1-2H3.
What are the key properties of N-(2-ethoxypyrimidin-5-yl)-3-methylbenzenesulfonamide?
N-(2-ethoxypyrimidin-5-yl)-3-methylbenzenesulfonamide has a molecular weight of 293.35 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxypyrimidin-5-yl)-3-methylbenzenesulfonamide is sourced from PubChem (CID 122301871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).