4-ethoxy-3-methyl-N-(5-methylpyrazin-2-yl)benzenesulfonamide

C14H17N3O3S — CID 154781020

IUPAC4-ethoxy-3-methyl-N-(5-methylpyrazin-2-yl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2cnc(C)cn2)cc1C
InChIInChI=1S/C14H17N3O3S/c1-4-20-13-6-5-12(7-10(13)2)21(18,19)17-14-9-15-11(3)8-16-14/h5-9H,4H2,1-3H3,(H,16,17)
InChIKeyJXVGKEKMEYFPQQ-UHFFFAOYSA-N
MW307.38 g/mol
LogP2.29
Rot. Bonds5

About 4-ethoxy-3-methyl-N-(5-methylpyrazin-2-yl)benzenesulfonamide

4-ethoxy-3-methyl-N-(5-methylpyrazin-2-yl)benzenesulfonamide (PubChem CID 154781020) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is 4-ethoxy-3-methyl-N-(5-methylpyrazin-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-3-methyl-N-(5-methylpyrazin-2-yl)benzenesulfonamide
PubChem CID154781020
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name4-ethoxy-3-methyl-N-(5-methylpyrazin-2-yl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2cnc(C)cn2)cc1C
InChIInChI=1S/C14H17N3O3S/c1-4-20-13-6-5-12(7-10(13)2)21(18,19)17-14-9-15-11(3)8-16-14/h5-9H,4H2,1-3H3,(H,16,17)
InChIKeyJXVGKEKMEYFPQQ-UHFFFAOYSA-N
XLogP2.29
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-bromopyrazin-2-yl)-4-ethoxy-3-methylbenzenesulfonamide
CID 115733544
4-ethoxy-3-methyl-N-pyridin-4-ylbenzenesulfonamide
CID 19132693
N-(3,5-dimethylphenyl)-4-ethoxy-3-methylbenzenesulfonamide
CID 3265391
N-(2,6-difluorophenyl)-4-ethoxy-3-methylbenzenesulfonamide
CID 39825088
4-ethoxy-3-methyl-N-(2-methylphenyl)benzenesulfonamide
CID 4214214
sodium 4-ethoxy-3-methylbenzenesulfonate
CID 112705045
4-ethoxy-3-methyl-N-quinolin-3-ylbenzenesulfonamide
CID 66485862
N-(5-chloro-2-pyridinyl)-3-methyl-4-pentoxybenzenesulfonamide
CID 35202531
3,4-diethoxy-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 9067995
4-ethoxy-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3-methylbenzenesulfonamide
CID 122303147
4-ethoxy-3-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 2238756
4-ethoxy-3-methyl-N-(3-methylsulfanylphenyl)benzenesulfonamide
CID 2991516

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-methyl-N-(5-methylpyrazin-2-yl)benzenesulfonamide?
The IUPAC name of 4-ethoxy-3-methyl-N-(5-methylpyrazin-2-yl)benzenesulfonamide (CID 154781020) is 4-ethoxy-3-methyl-N-(5-methylpyrazin-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-3-methyl-N-(5-methylpyrazin-2-yl)benzenesulfonamide?
The canonical SMILES for 4-ethoxy-3-methyl-N-(5-methylpyrazin-2-yl)benzenesulfonamide is CCOc1ccc(S(=O)(=O)Nc2cnc(C)cn2)cc1C.
What is the InChIKey of 4-ethoxy-3-methyl-N-(5-methylpyrazin-2-yl)benzenesulfonamide?
The InChIKey is JXVGKEKMEYFPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-4-20-13-6-5-12(7-10(13)2)21(18,19)17-14-9-15-11(3)8-16-14/h5-9H,4H2,1-3H3,(H,16,17).
What are the key properties of 4-ethoxy-3-methyl-N-(5-methylpyrazin-2-yl)benzenesulfonamide?
4-ethoxy-3-methyl-N-(5-methylpyrazin-2-yl)benzenesulfonamide has a molecular weight of 307.38 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-methyl-N-(5-methylpyrazin-2-yl)benzenesulfonamide is sourced from PubChem (CID 154781020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).