N-[5-(4-ethoxyanilino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide

C21H23N3O3S — CID 113034396

IUPACN-[5-(4-ethoxyanilino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide
SMILESCCOc1ccc(Nc2ccc(NS(=O)(=O)c3cc(C)ccc3C)nc2)cc1
InChIInChI=1S/C21H23N3O3S/c1-4-27-19-10-7-17(8-11-19)23-18-9-12-21(22-14-18)24-28(25,26)20-13-15(2)5-6-16(20)3/h5-14,23H,4H2,1-3H3,(H,22,24)
InChIKeyJIMNSYQJTUBWHQ-UHFFFAOYSA-N
MW397.50 g/mol
LogP4.64
Rot. Bonds7

About N-[5-(4-ethoxyanilino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide

N-[5-(4-ethoxyanilino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide (PubChem CID 113034396) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is N-[5-(4-ethoxyanilino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[5-(4-ethoxyanilino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide
PubChem CID113034396
Molecular FormulaC21H23N3O3S
Molecular Weight397.50 g/mol
Exact Mass397.15
IUPAC NameN-[5-(4-ethoxyanilino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide
SMILESCCOc1ccc(Nc2ccc(NS(=O)(=O)c3cc(C)ccc3C)nc2)cc1
InChIInChI=1S/C21H23N3O3S/c1-4-27-19-10-7-17(8-11-19)23-18-9-12-21(22-14-18)24-28(25,26)20-13-15(2)5-6-16(20)3/h5-14,23H,4H2,1-3H3,(H,22,24)
InChIKeyJIMNSYQJTUBWHQ-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-(4-chloroanilino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide
CID 113033426
N-[5-(2,4-dimethylanilino)-2-pyridinyl]-4-ethoxybenzenesulfonamide
CID 113032010
N-[5-(3,5-dimethylanilino)-2-pyridinyl]-4-ethoxybenzenesulfonamide
CID 113032235
2,5-dimethyl-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]benzenesulfonamide
CID 113027707
N-[5-(2,5-dimethylanilino)-2-pyridinyl]-2-methoxy-5-methylbenzenesulfonamide
CID 113032075
N-(5-chloro-2-pyridinyl)-2,5-dimethylbenzenesulfonamide
CID 8523459
N-(5-amino-2-pyridinyl)-2,5-dimethylbenzenesulfonamide
CID 43144676
N-[5-(2-cyanoanilino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide
CID 113037114
N-[5-(diethylamino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide
CID 113029754
N-[5-(3-methoxyanilino)-2-pyridinyl]-2-methylbenzenesulfonamide
CID 113034137
N-[6-(butan-2-ylamino)-3-pyridinyl]-2,5-dimethylbenzenesulfonamide
CID 113009793
N-[5-(furan-2-ylmethylamino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide
CID 113026317

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-ethoxyanilino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-[5-(4-ethoxyanilino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide (CID 113034396) is N-[5-(4-ethoxyanilino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[5-(4-ethoxyanilino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-[5-(4-ethoxyanilino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide is CCOc1ccc(Nc2ccc(NS(=O)(=O)c3cc(C)ccc3C)nc2)cc1.
What is the InChIKey of N-[5-(4-ethoxyanilino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide?
The InChIKey is JIMNSYQJTUBWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S/c1-4-27-19-10-7-17(8-11-19)23-18-9-12-21(22-14-18)24-28(25,26)20-13-15(2)5-6-16(20)3/h5-14,23H,4H2,1-3H3,(H,22,24).
What are the key properties of N-[5-(4-ethoxyanilino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide?
N-[5-(4-ethoxyanilino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide 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-(4-ethoxyanilino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 113034396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).