4-ethoxy-3-methyl-N-pyridin-4-ylbenzenesulfonamide

C14H16N2O3S — CID 19132693

IUPAC4-ethoxy-3-methyl-N-pyridin-4-ylbenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccncc2)cc1C
InChIInChI=1S/C14H16N2O3S/c1-3-19-14-5-4-13(10-11(14)2)20(17,18)16-12-6-8-15-9-7-12/h4-10H,3H2,1-2H3,(H,15,16)
InChIKeyORBLYYHQAZEYEJ-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.59
Rot. Bonds5

About 4-ethoxy-3-methyl-N-pyridin-4-ylbenzenesulfonamide

4-ethoxy-3-methyl-N-pyridin-4-ylbenzenesulfonamide (PubChem CID 19132693) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is 4-ethoxy-3-methyl-N-pyridin-4-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-3-methyl-N-pyridin-4-ylbenzenesulfonamide
PubChem CID19132693
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name4-ethoxy-3-methyl-N-pyridin-4-ylbenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccncc2)cc1C
InChIInChI=1S/C14H16N2O3S/c1-3-19-14-5-4-13(10-11(14)2)20(17,18)16-12-6-8-15-9-7-12/h4-10H,3H2,1-2H3,(H,15,16)
InChIKeyORBLYYHQAZEYEJ-UHFFFAOYSA-N
XLogP2.59
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dimethylphenyl)-4-ethoxy-3-methylbenzenesulfonamide
CID 3265391
4-ethoxy-3-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 2238756
4-ethoxy-3-methyl-N-quinolin-3-ylbenzenesulfonamide
CID 66485862
N-(2,6-difluorophenyl)-4-ethoxy-3-methylbenzenesulfonamide
CID 39825088
4-ethoxy-3-methyl-N-(2-methylphenyl)benzenesulfonamide
CID 4214214
4-ethoxy-3-methyl-N-(5-methylpyrazin-2-yl)benzenesulfonamide
CID 154781020
4-ethoxy-3-methyl-N-(3-methylsulfanylphenyl)benzenesulfonamide
CID 2991516
4-ethoxy-3-methyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 39824387
sodium 4-ethoxy-3-methylbenzenesulfonate
CID 112705045
N-(5-bromopyrazin-2-yl)-4-ethoxy-3-methylbenzenesulfonamide
CID 115733544
4-ethoxy-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3-methylbenzenesulfonamide
CID 122303147
3,4-diethoxy-N-(4-methylsulfonylphenyl)benzenesulfonamide
CID 9056028

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-methyl-N-pyridin-4-ylbenzenesulfonamide?
The IUPAC name of 4-ethoxy-3-methyl-N-pyridin-4-ylbenzenesulfonamide (CID 19132693) is 4-ethoxy-3-methyl-N-pyridin-4-ylbenzenesulfonamide.
What is the SMILES notation for 4-ethoxy-3-methyl-N-pyridin-4-ylbenzenesulfonamide?
The canonical SMILES for 4-ethoxy-3-methyl-N-pyridin-4-ylbenzenesulfonamide is CCOc1ccc(S(=O)(=O)Nc2ccncc2)cc1C.
What is the InChIKey of 4-ethoxy-3-methyl-N-pyridin-4-ylbenzenesulfonamide?
The InChIKey is ORBLYYHQAZEYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-3-19-14-5-4-13(10-11(14)2)20(17,18)16-12-6-8-15-9-7-12/h4-10H,3H2,1-2H3,(H,15,16).
What are the key properties of 4-ethoxy-3-methyl-N-pyridin-4-ylbenzenesulfonamide?
4-ethoxy-3-methyl-N-pyridin-4-ylbenzenesulfonamide has a molecular weight of 292.36 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-methyl-N-pyridin-4-ylbenzenesulfonamide is sourced from PubChem (CID 19132693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).