N-[5-(4-ethylanilino)-2-pyridinyl]-4-methoxy-3-methylbenzenesulfonamide

C21H23N3O3S — CID 113032534

IUPACN-[5-(4-ethylanilino)-2-pyridinyl]-4-methoxy-3-methylbenzenesulfonamide
SMILESCCc1ccc(Nc2ccc(NS(=O)(=O)c3ccc(OC)c(C)c3)nc2)cc1
InChIInChI=1S/C21H23N3O3S/c1-4-16-5-7-17(8-6-16)23-18-9-12-21(22-14-18)24-28(25,26)19-10-11-20(27-3)15(2)13-19/h5-14,23H,4H2,1-3H3,(H,22,24)
InChIKeyAVKOCYZDDSOXSP-UHFFFAOYSA-N
MW397.50 g/mol
LogP4.51
Rot. Bonds7

About N-[5-(4-ethylanilino)-2-pyridinyl]-4-methoxy-3-methylbenzenesulfonamide

N-[5-(4-ethylanilino)-2-pyridinyl]-4-methoxy-3-methylbenzenesulfonamide (PubChem CID 113032534) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is N-[5-(4-ethylanilino)-2-pyridinyl]-4-methoxy-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[5-(4-ethylanilino)-2-pyridinyl]-4-methoxy-3-methylbenzenesulfonamide
PubChem CID113032534
Molecular FormulaC21H23N3O3S
Molecular Weight397.50 g/mol
Exact Mass397.15
IUPAC NameN-[5-(4-ethylanilino)-2-pyridinyl]-4-methoxy-3-methylbenzenesulfonamide
SMILESCCc1ccc(Nc2ccc(NS(=O)(=O)c3ccc(OC)c(C)c3)nc2)cc1
InChIInChI=1S/C21H23N3O3S/c1-4-16-5-7-17(8-6-16)23-18-9-12-21(22-14-18)24-28(25,26)19-10-11-20(27-3)15(2)13-19/h5-14,23H,4H2,1-3H3,(H,22,24)
InChIKeyAVKOCYZDDSOXSP-UHFFFAOYSA-N
XLogP4.51
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 ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(3,5-dimethylanilino)-2-pyridinyl]-4-methoxy-3-methylbenzenesulfonamide
CID 113032223
N-[5-(2,6-dimethylanilino)-2-pyridinyl]-4-methoxy-3-methylbenzenesulfonamide
CID 113032298
4-methoxy-3-methyl-N-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]benzenesulfonamide
CID 113027950
N-[5-(4-ethylanilino)-2-pyridinyl]benzenesulfonamide
CID 113032527
N-(5-anilino-2-pyridinyl)-3,4-dimethoxybenzenesulfonamide
CID 113031264
N-[5-(4-cyanoanilino)-2-pyridinyl]-4-ethylbenzenesulfonamide
CID 113037323
N-[5-[(4-methoxyphenyl)methylamino]-2-pyridinyl]-3,4-dimethylbenzenesulfonamide
CID 113027464
4-ethyl-N-[5-(propan-2-ylamino)-2-pyridinyl]benzenesulfonamide
CID 113023639
N-[6-(2-methoxy-5-methylanilino)-3-pyridinyl]-3,4-dimethylbenzenesulfonamide
CID 113019808
4-methoxy-3-methyl-N-[6-(propylamino)pyridazin-3-yl]benzenesulfonamide
CID 113037875
N-[5-(3-chloroanilino)-2-pyridinyl]-3,4-dimethylbenzenesulfonamide
CID 113033338
4-methoxy-N-[6-[(4-methoxy-3-methylphenyl)sulfonylamino]-2-pyridinyl]-3-methylbenzenesulfonamide
CID 71671343

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-ethylanilino)-2-pyridinyl]-4-methoxy-3-methylbenzenesulfonamide?
The IUPAC name of N-[5-(4-ethylanilino)-2-pyridinyl]-4-methoxy-3-methylbenzenesulfonamide (CID 113032534) is N-[5-(4-ethylanilino)-2-pyridinyl]-4-methoxy-3-methylbenzenesulfonamide.
What is the SMILES notation for N-[5-(4-ethylanilino)-2-pyridinyl]-4-methoxy-3-methylbenzenesulfonamide?
The canonical SMILES for N-[5-(4-ethylanilino)-2-pyridinyl]-4-methoxy-3-methylbenzenesulfonamide is CCc1ccc(Nc2ccc(NS(=O)(=O)c3ccc(OC)c(C)c3)nc2)cc1.
What is the InChIKey of N-[5-(4-ethylanilino)-2-pyridinyl]-4-methoxy-3-methylbenzenesulfonamide?
The InChIKey is AVKOCYZDDSOXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S/c1-4-16-5-7-17(8-6-16)23-18-9-12-21(22-14-18)24-28(25,26)19-10-11-20(27-3)15(2)13-19/h5-14,23H,4H2,1-3H3,(H,22,24).
What are the key properties of N-[5-(4-ethylanilino)-2-pyridinyl]-4-methoxy-3-methylbenzenesulfonamide?
N-[5-(4-ethylanilino)-2-pyridinyl]-4-methoxy-3-methylbenzenesulfonamide has a molecular weight of 397.50 g/mol, XLogP of 4.51, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-ethylanilino)-2-pyridinyl]-4-methoxy-3-methylbenzenesulfonamide is sourced from PubChem (CID 113032534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).