N-[[2-(dimethylamino)-3-pyridinyl]methyl]-4-ethoxy-3-methylbenzenesulfonamide

C17H23N3O3S — CID 39660540

IUPACN-[[2-(dimethylamino)-3-pyridinyl]methyl]-4-ethoxy-3-methylbenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCc2cccnc2N(C)C)cc1C
InChIInChI=1S/C17H23N3O3S/c1-5-23-16-9-8-15(11-13(16)2)24(21,22)19-12-14-7-6-10-18-17(14)20(3)4/h6-11,19H,5,12H2,1-4H3
InChIKeyFBMILQCZCBCKGT-UHFFFAOYSA-N
MW349.46 g/mol
LogP2.33
Rot. Bonds7

About N-[[2-(dimethylamino)-3-pyridinyl]methyl]-4-ethoxy-3-methylbenzenesulfonamide

N-[[2-(dimethylamino)-3-pyridinyl]methyl]-4-ethoxy-3-methylbenzenesulfonamide (PubChem CID 39660540) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is N-[[2-(dimethylamino)-3-pyridinyl]methyl]-4-ethoxy-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[[2-(dimethylamino)-3-pyridinyl]methyl]-4-ethoxy-3-methylbenzenesulfonamide
PubChem CID39660540
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC NameN-[[2-(dimethylamino)-3-pyridinyl]methyl]-4-ethoxy-3-methylbenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCc2cccnc2N(C)C)cc1C
InChIInChI=1S/C17H23N3O3S/c1-5-23-16-9-8-15(11-13(16)2)24(21,22)19-12-14-7-6-10-18-17(14)20(3)4/h6-11,19H,5,12H2,1-4H3
InChIKeyFBMILQCZCBCKGT-UHFFFAOYSA-N
XLogP2.33
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-fluoro-4-methoxybenzenesulfonamide
CID 39660538
N-[[2-(dimethylamino)-3-pyridinyl]methyl]-4-(4-ethoxyphenoxy)benzenesulfonamide
CID 55691577
N-[(2-chlorophenyl)methyl]-4-ethoxy-3-methylbenzenesulfonamide
CID 37477890
4-ethoxy-3-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 2238756
3-acetyl-N-[[2-(dimethylamino)-3-pyridinyl]methyl]benzenesulfonamide
CID 39660374
sodium 4-ethoxy-3-methylbenzenesulfonate
CID 112705045
N-[(2-ethoxy-3-pyridinyl)methyl]-4-methylbenzenesulfonamide
CID 35389857
2-chloro-N-[[2-(dimethylamino)-3-pyridinyl]methyl]benzenesulfonamide
CID 39660340
3,4-diethoxy-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 9186891
4-ethoxy-3-methyl-N-pyridin-4-ylbenzenesulfonamide
CID 19132693
4-ethoxy-N-[(4-ethoxy-3-methylphenyl)methyl]benzenesulfonamide
CID 110781958
3-[(4-ethylsulfonylanilino)methyl]-N,N-dimethylpyridin-2-amine
CID 100663511

Frequently Asked Questions

What is the IUPAC name of N-[[2-(dimethylamino)-3-pyridinyl]methyl]-4-ethoxy-3-methylbenzenesulfonamide?
The IUPAC name of N-[[2-(dimethylamino)-3-pyridinyl]methyl]-4-ethoxy-3-methylbenzenesulfonamide (CID 39660540) is N-[[2-(dimethylamino)-3-pyridinyl]methyl]-4-ethoxy-3-methylbenzenesulfonamide.
What is the SMILES notation for N-[[2-(dimethylamino)-3-pyridinyl]methyl]-4-ethoxy-3-methylbenzenesulfonamide?
The canonical SMILES for N-[[2-(dimethylamino)-3-pyridinyl]methyl]-4-ethoxy-3-methylbenzenesulfonamide is CCOc1ccc(S(=O)(=O)NCc2cccnc2N(C)C)cc1C.
What is the InChIKey of N-[[2-(dimethylamino)-3-pyridinyl]methyl]-4-ethoxy-3-methylbenzenesulfonamide?
The InChIKey is FBMILQCZCBCKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-5-23-16-9-8-15(11-13(16)2)24(21,22)19-12-14-7-6-10-18-17(14)20(3)4/h6-11,19H,5,12H2,1-4H3.
What are the key properties of N-[[2-(dimethylamino)-3-pyridinyl]methyl]-4-ethoxy-3-methylbenzenesulfonamide?
N-[[2-(dimethylamino)-3-pyridinyl]methyl]-4-ethoxy-3-methylbenzenesulfonamide has a molecular weight of 349.46 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(dimethylamino)-3-pyridinyl]methyl]-4-ethoxy-3-methylbenzenesulfonamide is sourced from PubChem (CID 39660540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).