4-ethoxy-2,3,5-trimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide

C17H22N2O3S — CID 1094930

IUPAC4-ethoxy-2,3,5-trimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESCCOc1c(C)cc(S(=O)(=O)NCc2cccnc2)c(C)c1C
InChIInChI=1S/C17H22N2O3S/c1-5-22-17-12(2)9-16(13(3)14(17)4)23(20,21)19-11-15-7-6-8-18-10-15/h6-10,19H,5,11H2,1-4H3
InChIKeyJXQNCOPBCLMXMO-UHFFFAOYSA-N
MW334.44 g/mol
LogP2.88
Rot. Bonds6

About 4-ethoxy-2,3,5-trimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide

4-ethoxy-2,3,5-trimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide (PubChem CID 1094930) has the molecular formula C17H22N2O3S and a molecular weight of 334.44 g/mol. Its IUPAC name is 4-ethoxy-2,3,5-trimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-2,3,5-trimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
PubChem CID1094930
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC Name4-ethoxy-2,3,5-trimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESCCOc1c(C)cc(S(=O)(=O)NCc2cccnc2)c(C)c1C
InChIInChI=1S/C17H22N2O3S/c1-5-22-17-12(2)9-16(13(3)14(17)4)23(20,21)19-11-15-7-6-8-18-10-15/h6-10,19H,5,11H2,1-4H3
InChIKeyJXQNCOPBCLMXMO-UHFFFAOYSA-N
XLogP2.88
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethoxy-2,4-dimethyl-N-(3-pyridinylmethyl)benzenesulfonamide
CID 977109
4-ethoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 676047
Benzyloxyisoquinoline, 6
CID 42618163
4-Methoxy-3-methyl-N-(3-pyridinylmethyl)benzenesulfonamide
CID 741472
4-Ethoxy-N-pyridin-3-ylmethyl-benzenesulfonamide
CID 741474
4-Ethoxy-2,3-dimethyl-N-pyridin-2-ylmethyl-benzenesulfonamide
CID 850049
4-Methoxy-2,3-dimethyl-N-pyridin-3-yl-benzenesulfonamide
CID 1088781
4-Methoxy-naphthalene-1-sulfonic acid (3-methyl-pyridin-2-yl)-amide
CID 2992209
4-ethoxy-N-(3-methylpyridin-2-yl)naphthalene-1-sulfonamide
CID 1073731
N-[(2S)-1-isoquinolin-5-yloxypropan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 11545475
N-[(2S)-1-isoquinolin-5-yloxypropan-2-yl]-2,4-dimethylbenzenesulfonamide
CID 57651617
6-methoxy-N-(3-pyridinylmethyl)-2-naphthalenesulfonamide
CID 778032

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2,3,5-trimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-ethoxy-2,3,5-trimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide (CID 1094930) is 4-ethoxy-2,3,5-trimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-2,3,5-trimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-ethoxy-2,3,5-trimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide is CCOc1c(C)cc(S(=O)(=O)NCc2cccnc2)c(C)c1C.
What is the InChIKey of 4-ethoxy-2,3,5-trimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The InChIKey is JXQNCOPBCLMXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S/c1-5-22-17-12(2)9-16(13(3)14(17)4)23(20,21)19-11-15-7-6-8-18-10-15/h6-10,19H,5,11H2,1-4H3.
What are the key properties of 4-ethoxy-2,3,5-trimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide?
4-ethoxy-2,3,5-trimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide has a molecular weight of 334.44 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2,3,5-trimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 1094930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).