N-[5-(2,4-dimethylanilino)-2-pyridinyl]-4-ethoxybenzenesulfonamide

C21H23N3O3S — CID 113032010

IUPACN-[5-(2,4-dimethylanilino)-2-pyridinyl]-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(Nc3ccc(C)cc3C)cn2)cc1
InChIInChI=1S/C21H23N3O3S/c1-4-27-18-7-9-19(10-8-18)28(25,26)24-21-12-6-17(14-22-21)23-20-11-5-15(2)13-16(20)3/h5-14,23H,4H2,1-3H3,(H,22,24)
InChIKeyVBKQFHLWQBSRNG-UHFFFAOYSA-N
MW397.50 g/mol
LogP4.64
Rot. Bonds7

About N-[5-(2,4-dimethylanilino)-2-pyridinyl]-4-ethoxybenzenesulfonamide

N-[5-(2,4-dimethylanilino)-2-pyridinyl]-4-ethoxybenzenesulfonamide (PubChem CID 113032010) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is N-[5-(2,4-dimethylanilino)-2-pyridinyl]-4-ethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[5-(2,4-dimethylanilino)-2-pyridinyl]-4-ethoxybenzenesulfonamide
PubChem CID113032010
Molecular FormulaC21H23N3O3S
Molecular Weight397.50 g/mol
Exact Mass397.15
IUPAC NameN-[5-(2,4-dimethylanilino)-2-pyridinyl]-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(Nc3ccc(C)cc3C)cn2)cc1
InChIInChI=1S/C21H23N3O3S/c1-4-27-18-7-9-19(10-8-18)28(25,26)24-21-12-6-17(14-22-21)23-20-11-5-15(2)13-16(20)3/h5-14,23H,4H2,1-3H3,(H,22,24)
InChIKeyVBKQFHLWQBSRNG-UHFFFAOYSA-N
XLogP4.64
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(3,5-dimethylanilino)-2-pyridinyl]-4-ethoxybenzenesulfonamide
CID 113032235
N-[5-(4-ethoxyanilino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide
CID 113034396
N-[5-(2,4-dimethylanilino)-2-pyridinyl]-1,3-benzodioxole-5-sulfonamide
CID 113032001
N-[5-(2-ethoxyanilino)-2-pyridinyl]-3-methylbenzenesulfonamide
CID 113034319
N-[5-(cyclopentylamino)-2-pyridinyl]-4-ethoxybenzenesulfonamide
CID 113024551
4-ethoxy-N-(4-methylphenyl)benzenesulfonamide
CID 925010
4-ethoxy-N-[5-(3-methylbutylamino)-2-pyridinyl]benzenesulfonamide
CID 113030370
N-[6-(3,5-dimethylanilino)pyridazin-3-yl]-4-ethoxybenzenesulfonamide
CID 113046481
N-(2-chloro-4-methylphenyl)-4-ethoxybenzenesulfonamide
CID 7514268
4-ethoxy-N-(2-fluoro-4-methylphenyl)benzenesulfonamide
CID 8523206
N-[5-(2,4-difluoroanilino)-2-pyridinyl]-2,4-dimethylbenzenesulfonamide
CID 113036484
4-methoxy-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]benzenesulfonamide
CID 113017943

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,4-dimethylanilino)-2-pyridinyl]-4-ethoxybenzenesulfonamide?
The IUPAC name of N-[5-(2,4-dimethylanilino)-2-pyridinyl]-4-ethoxybenzenesulfonamide (CID 113032010) is N-[5-(2,4-dimethylanilino)-2-pyridinyl]-4-ethoxybenzenesulfonamide.
What is the SMILES notation for N-[5-(2,4-dimethylanilino)-2-pyridinyl]-4-ethoxybenzenesulfonamide?
The canonical SMILES for N-[5-(2,4-dimethylanilino)-2-pyridinyl]-4-ethoxybenzenesulfonamide is CCOc1ccc(S(=O)(=O)Nc2ccc(Nc3ccc(C)cc3C)cn2)cc1.
What is the InChIKey of N-[5-(2,4-dimethylanilino)-2-pyridinyl]-4-ethoxybenzenesulfonamide?
The InChIKey is VBKQFHLWQBSRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S/c1-4-27-18-7-9-19(10-8-18)28(25,26)24-21-12-6-17(14-22-21)23-20-11-5-15(2)13-16(20)3/h5-14,23H,4H2,1-3H3,(H,22,24).
What are the key properties of N-[5-(2,4-dimethylanilino)-2-pyridinyl]-4-ethoxybenzenesulfonamide?
N-[5-(2,4-dimethylanilino)-2-pyridinyl]-4-ethoxybenzenesulfonamide has a molecular weight of 397.50 g/mol, XLogP of 4.64, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,4-dimethylanilino)-2-pyridinyl]-4-ethoxybenzenesulfonamide is sourced from PubChem (CID 113032010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).