N-[6-(2-ethoxyanilino)-3-pyridinyl]benzenesulfonamide

C19H19N3O3S — CID 113019644

IUPACN-[6-(2-ethoxyanilino)-3-pyridinyl]benzenesulfonamide
SMILESCCOc1ccccc1Nc1ccc(NS(=O)(=O)c2ccccc2)cn1
InChIInChI=1S/C19H19N3O3S/c1-2-25-18-11-7-6-10-17(18)21-19-13-12-15(14-20-19)22-26(23,24)16-8-4-3-5-9-16/h3-14,22H,2H2,1H3,(H,20,21)
InChIKeyHMEHNAWHQUFESU-UHFFFAOYSA-N
MW369.45 g/mol
LogP4.02
Rot. Bonds7

About N-[6-(2-ethoxyanilino)-3-pyridinyl]benzenesulfonamide

N-[6-(2-ethoxyanilino)-3-pyridinyl]benzenesulfonamide (PubChem CID 113019644) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is N-[6-(2-ethoxyanilino)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[6-(2-ethoxyanilino)-3-pyridinyl]benzenesulfonamide
PubChem CID113019644
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC NameN-[6-(2-ethoxyanilino)-3-pyridinyl]benzenesulfonamide
SMILESCCOc1ccccc1Nc1ccc(NS(=O)(=O)c2ccccc2)cn1
InChIInChI=1S/C19H19N3O3S/c1-2-25-18-11-7-6-10-17(18)21-19-13-12-15(14-20-19)22-26(23,24)16-8-4-3-5-9-16/h3-14,22H,2H2,1H3,(H,20,21)
InChIKeyHMEHNAWHQUFESU-UHFFFAOYSA-N
XLogP4.02
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(2-ethoxyanilino)-3-pyridinyl]-3-methylbenzenesulfonamide
CID 113019654
N-[5-(2-ethoxyanilino)-2-pyridinyl]-3-methylbenzenesulfonamide
CID 113034319
N-[5-(2-ethoxyanilino)-2-pyridinyl]methanesulfonamide
CID 113034304
N-[6-(ethylamino)-3-pyridinyl]benzenesulfonamide
CID 71038447
4-methyl-N-[6-(2-methylanilino)-3-pyridinyl]benzenesulfonamide
CID 113016153
1-[6-(2-ethoxyanilino)-3-pyridinyl]-3-propan-2-ylurea
CID 113019637
N-[6-(2-chloroanilino)-3-pyridinyl]-4-methylbenzenesulfonamide
CID 113018469
N-(2-ethoxyphenyl)-4-hydrazinylbenzenesulfonamide
CID 43454824
N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide
CID 113016273
N-[6-(2-methoxyethylamino)-3-pyridinyl]benzenesulfonamide
CID 113010392
N-[5-(benzenesulfonamido)-2-pyridinyl]acetamide
CID 71056015
N-[6-(2-methylanilino)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide
CID 113016162

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-ethoxyanilino)-3-pyridinyl]benzenesulfonamide?
The IUPAC name of N-[6-(2-ethoxyanilino)-3-pyridinyl]benzenesulfonamide (CID 113019644) is N-[6-(2-ethoxyanilino)-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for N-[6-(2-ethoxyanilino)-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for N-[6-(2-ethoxyanilino)-3-pyridinyl]benzenesulfonamide is CCOc1ccccc1Nc1ccc(NS(=O)(=O)c2ccccc2)cn1.
What is the InChIKey of N-[6-(2-ethoxyanilino)-3-pyridinyl]benzenesulfonamide?
The InChIKey is HMEHNAWHQUFESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-2-25-18-11-7-6-10-17(18)21-19-13-12-15(14-20-19)22-26(23,24)16-8-4-3-5-9-16/h3-14,22H,2H2,1H3,(H,20,21).
What are the key properties of N-[6-(2-ethoxyanilino)-3-pyridinyl]benzenesulfonamide?
N-[6-(2-ethoxyanilino)-3-pyridinyl]benzenesulfonamide has a molecular weight of 369.45 g/mol, XLogP of 4.02, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-ethoxyanilino)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 113019644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).