N-[5-(2-ethoxyanilino)-2-pyridinyl]-3-methylbenzenesulfonamide

C20H21N3O3S — CID 113034319

IUPACN-[5-(2-ethoxyanilino)-2-pyridinyl]-3-methylbenzenesulfonamide
SMILESCCOc1ccccc1Nc1ccc(NS(=O)(=O)c2cccc(C)c2)nc1
InChIInChI=1S/C20H21N3O3S/c1-3-26-19-10-5-4-9-18(19)22-16-11-12-20(21-14-16)23-27(24,25)17-8-6-7-15(2)13-17/h4-14,22H,3H2,1-2H3,(H,21,23)
InChIKeyRACDLKBWZWRTPM-UHFFFAOYSA-N
MW383.47 g/mol
LogP4.33
Rot. Bonds7

About N-[5-(2-ethoxyanilino)-2-pyridinyl]-3-methylbenzenesulfonamide

N-[5-(2-ethoxyanilino)-2-pyridinyl]-3-methylbenzenesulfonamide (PubChem CID 113034319) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is N-[5-(2-ethoxyanilino)-2-pyridinyl]-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[5-(2-ethoxyanilino)-2-pyridinyl]-3-methylbenzenesulfonamide
PubChem CID113034319
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC NameN-[5-(2-ethoxyanilino)-2-pyridinyl]-3-methylbenzenesulfonamide
SMILESCCOc1ccccc1Nc1ccc(NS(=O)(=O)c2cccc(C)c2)nc1
InChIInChI=1S/C20H21N3O3S/c1-3-26-19-10-5-4-9-18(19)22-16-11-12-20(21-14-16)23-27(24,25)17-8-6-7-15(2)13-17/h4-14,22H,3H2,1-2H3,(H,21,23)
InChIKeyRACDLKBWZWRTPM-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-[6-(2-ethoxyanilino)-3-pyridinyl]-3-methylbenzenesulfonamide
CID 113019654
N-[5-(2-ethoxyanilino)-2-pyridinyl]methanesulfonamide
CID 113034304
N-[6-(2-ethoxyanilino)-3-pyridinyl]benzenesulfonamide
CID 113019644
N-[5-(tert-butylamino)-2-pyridinyl]-3-methylbenzenesulfonamide
CID 113030068
N-[5-(2,4-dimethylanilino)-2-pyridinyl]-4-ethoxybenzenesulfonamide
CID 113032010
N-(2-ethoxypyrimidin-5-yl)-3-methylbenzenesulfonamide
CID 122301871
N-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]-3-methylbenzenesulfonamide
CID 113027064
N-[5-(cyclopentylamino)-2-pyridinyl]-3-methylbenzenesulfonamide
CID 113024541
N-[5-(cycloheptylamino)-2-pyridinyl]-3-methylbenzenesulfonamide
CID 113030177
N-[5-(3,5-dimethylanilino)-2-pyridinyl]-4-ethoxybenzenesulfonamide
CID 113032235
N-[5-[2-(3-methoxyphenyl)ethylamino]-2-pyridinyl]-3-methylbenzenesulfonamide
CID 113028450
3-methyl-N-[6-(pentylamino)-3-pyridinyl]benzenesulfonamide
CID 113015298

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-ethoxyanilino)-2-pyridinyl]-3-methylbenzenesulfonamide?
The IUPAC name of N-[5-(2-ethoxyanilino)-2-pyridinyl]-3-methylbenzenesulfonamide (CID 113034319) is N-[5-(2-ethoxyanilino)-2-pyridinyl]-3-methylbenzenesulfonamide.
What is the SMILES notation for N-[5-(2-ethoxyanilino)-2-pyridinyl]-3-methylbenzenesulfonamide?
The canonical SMILES for N-[5-(2-ethoxyanilino)-2-pyridinyl]-3-methylbenzenesulfonamide is CCOc1ccccc1Nc1ccc(NS(=O)(=O)c2cccc(C)c2)nc1.
What is the InChIKey of N-[5-(2-ethoxyanilino)-2-pyridinyl]-3-methylbenzenesulfonamide?
The InChIKey is RACDLKBWZWRTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-3-26-19-10-5-4-9-18(19)22-16-11-12-20(21-14-16)23-27(24,25)17-8-6-7-15(2)13-17/h4-14,22H,3H2,1-2H3,(H,21,23).
What are the key properties of N-[5-(2-ethoxyanilino)-2-pyridinyl]-3-methylbenzenesulfonamide?
N-[5-(2-ethoxyanilino)-2-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-[5-(2-ethoxyanilino)-2-pyridinyl]-3-methylbenzenesulfonamide is sourced from PubChem (CID 113034319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).