4-ethoxy-N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]benzenesulfonamide

C21H23N3O3S — CID 113011637

IUPAC4-ethoxy-N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(NCc3ccccc3C)nc2)cc1
InChIInChI=1S/C21H23N3O3S/c1-3-27-19-9-11-20(12-10-19)28(25,26)24-18-8-13-21(23-15-18)22-14-17-7-5-4-6-16(17)2/h4-13,15,24H,3,14H2,1-2H3,(H,22,23)
InChIKeyWAWYWKFFCLLCRJ-UHFFFAOYSA-N
MW397.50 g/mol
LogP4.20
Rot. Bonds8

About 4-ethoxy-N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]benzenesulfonamide

4-ethoxy-N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]benzenesulfonamide (PubChem CID 113011637) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is 4-ethoxy-N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]benzenesulfonamide
PubChem CID113011637
Molecular FormulaC21H23N3O3S
Molecular Weight397.50 g/mol
Exact Mass397.15
IUPAC Name4-ethoxy-N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(NCc3ccccc3C)nc2)cc1
InChIInChI=1S/C21H23N3O3S/c1-3-27-19-9-11-20(12-10-19)28(25,26)24-18-8-13-21(23-15-18)22-14-17-7-5-4-6-16(17)2/h4-13,15,24H,3,14H2,1-2H3,(H,22,23)
InChIKeyWAWYWKFFCLLCRJ-UHFFFAOYSA-N
XLogP4.20
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-[(2-methoxyphenyl)methylamino]-3-pyridinyl]-4-methylbenzenesulfonamide
CID 113012405
N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]methanesulfonamide
CID 113011606
N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]-4-propan-2-ylbenzenesulfonamide
CID 113026556
3,5-dimethyl-N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]-1,2-oxazole-4-sulfonamide
CID 113011636
5-chloro-N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]thiophene-2-sulfonamide
CID 113011631
N-[6-(ethylamino)-3-pyridinyl]benzenesulfonamide
CID 71038447
N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-4-ethoxybenzenesulfonamide
CID 22201863
4-methyl-N-[6-(pyridin-2-ylmethylamino)-3-pyridinyl]benzenesulfonamide
CID 113012724
N-[5-(3,5-dimethylanilino)-2-pyridinyl]-4-ethoxybenzenesulfonamide
CID 113032235
4-ethoxy-N-[5-(3-methylbutylamino)-2-pyridinyl]benzenesulfonamide
CID 113030370
4-[(4-ethoxyphenyl)sulfonylamino]-N-pyridin-2-ylbenzenesulfonamide
CID 92674441
4-ethoxy-N-(4-methylphenyl)benzenesulfonamide
CID 925010

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 4-ethoxy-N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]benzenesulfonamide (CID 113011637) is 4-ethoxy-N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]benzenesulfonamide is CCOc1ccc(S(=O)(=O)Nc2ccc(NCc3ccccc3C)nc2)cc1.
What is the InChIKey of 4-ethoxy-N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]benzenesulfonamide?
The InChIKey is WAWYWKFFCLLCRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S/c1-3-27-19-9-11-20(12-10-19)28(25,26)24-18-8-13-21(23-15-18)22-14-17-7-5-4-6-16(17)2/h4-13,15,24H,3,14H2,1-2H3,(H,22,23).
What are the key properties of 4-ethoxy-N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]benzenesulfonamide?
4-ethoxy-N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]benzenesulfonamide has a molecular weight of 397.50 g/mol, XLogP of 4.20, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 113011637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).