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

C20H21N3O3S — CID 113019654

IUPACN-[6-(2-ethoxyanilino)-3-pyridinyl]-3-methylbenzenesulfonamide
SMILESCCOc1ccccc1Nc1ccc(NS(=O)(=O)c2cccc(C)c2)cn1
InChIInChI=1S/C20H21N3O3S/c1-3-26-19-10-5-4-9-18(19)22-20-12-11-16(14-21-20)23-27(24,25)17-8-6-7-15(2)13-17/h4-14,23H,3H2,1-2H3,(H,21,22)
InChIKeyHOLXVRNPZSZJLY-UHFFFAOYSA-N
MW383.47 g/mol
LogP4.33
Rot. Bonds7

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

N-[6-(2-ethoxyanilino)-3-pyridinyl]-3-methylbenzenesulfonamide (PubChem CID 113019654) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is N-[6-(2-ethoxyanilino)-3-pyridinyl]-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[6-(2-ethoxyanilino)-3-pyridinyl]-3-methylbenzenesulfonamide
PubChem CID113019654
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC NameN-[6-(2-ethoxyanilino)-3-pyridinyl]-3-methylbenzenesulfonamide
SMILESCCOc1ccccc1Nc1ccc(NS(=O)(=O)c2cccc(C)c2)cn1
InChIInChI=1S/C20H21N3O3S/c1-3-26-19-10-5-4-9-18(19)22-20-12-11-16(14-21-20)23-27(24,25)17-8-6-7-15(2)13-17/h4-14,23H,3H2,1-2H3,(H,21,22)
InChIKeyHOLXVRNPZSZJLY-UHFFFAOYSA-N
XLogP4.33
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(2-ethoxyanilino)-2-pyridinyl]-3-methylbenzenesulfonamide
CID 113034319
N-[6-(2-ethoxyanilino)-3-pyridinyl]benzenesulfonamide
CID 113019644
N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide
CID 113016273
N-(2-ethoxypyrimidin-5-yl)-3-methylbenzenesulfonamide
CID 122301871
N-[6-(4-tert-butylanilino)-3-pyridinyl]-3-methylbenzenesulfonamide
CID 113018175
3-methyl-N-[6-(pentylamino)-3-pyridinyl]benzenesulfonamide
CID 113015298
3-chloro-N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide
CID 113016313
N-[5-(2-ethoxyanilino)-2-pyridinyl]methanesulfonamide
CID 113034304
4-methyl-N-[6-(2-methylanilino)-3-pyridinyl]benzenesulfonamide
CID 113016153
N-[5-(tert-butylamino)-2-pyridinyl]-3-methylbenzenesulfonamide
CID 113030068
N-[6-(2-methoxy-5-methylanilino)-3-pyridinyl]-3,4-dimethylbenzenesulfonamide
CID 113019808
2-methyl-N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide
CID 113016312

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-ethoxyanilino)-3-pyridinyl]-3-methylbenzenesulfonamide?
The IUPAC name of N-[6-(2-ethoxyanilino)-3-pyridinyl]-3-methylbenzenesulfonamide (CID 113019654) is N-[6-(2-ethoxyanilino)-3-pyridinyl]-3-methylbenzenesulfonamide.
What is the SMILES notation for N-[6-(2-ethoxyanilino)-3-pyridinyl]-3-methylbenzenesulfonamide?
The canonical SMILES for N-[6-(2-ethoxyanilino)-3-pyridinyl]-3-methylbenzenesulfonamide is CCOc1ccccc1Nc1ccc(NS(=O)(=O)c2cccc(C)c2)cn1.
What is the InChIKey of N-[6-(2-ethoxyanilino)-3-pyridinyl]-3-methylbenzenesulfonamide?
The InChIKey is HOLXVRNPZSZJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-3-26-19-10-5-4-9-18(19)22-20-12-11-16(14-21-20)23-27(24,25)17-8-6-7-15(2)13-17/h4-14,23H,3H2,1-2H3,(H,21,22).
What are the key properties of N-[6-(2-ethoxyanilino)-3-pyridinyl]-3-methylbenzenesulfonamide?
N-[6-(2-ethoxyanilino)-3-pyridinyl]-3-methylbenzenesulfonamide has a molecular weight of 383.47 g/mol, XLogP of 4.33, 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]-3-methylbenzenesulfonamide is sourced from PubChem (CID 113019654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).