N-ethyl-6-(2-methoxy-5-methylanilino)-N-phenylpyridine-3-sulfonamide

C21H23N3O3S — CID 5268347

IUPACN-ethyl-6-(2-methoxy-5-methylanilino)-N-phenylpyridine-3-sulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(Nc2cc(C)ccc2OC)nc1
InChIInChI=1S/C21H23N3O3S/c1-4-24(17-8-6-5-7-9-17)28(25,26)18-11-13-21(22-15-18)23-19-14-16(2)10-12-20(19)27-3/h5-15H,4H2,1-3H3,(H,22,23)
InChIKeyZSRVFSNFFWASPE-UHFFFAOYSA-N
MW397.50 g/mol
LogP4.36
Rot. Bonds7

About N-ethyl-6-(2-methoxy-5-methylanilino)-N-phenylpyridine-3-sulfonamide

N-ethyl-6-(2-methoxy-5-methylanilino)-N-phenylpyridine-3-sulfonamide (PubChem CID 5268347) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is N-ethyl-6-(2-methoxy-5-methylanilino)-N-phenylpyridine-3-sulfonamide.

Molecular Properties

Compound NameN-ethyl-6-(2-methoxy-5-methylanilino)-N-phenylpyridine-3-sulfonamide
PubChem CID5268347
Molecular FormulaC21H23N3O3S
Molecular Weight397.50 g/mol
Exact Mass397.15
IUPAC NameN-ethyl-6-(2-methoxy-5-methylanilino)-N-phenylpyridine-3-sulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(Nc2cc(C)ccc2OC)nc1
InChIInChI=1S/C21H23N3O3S/c1-4-24(17-8-6-5-7-9-17)28(25,26)18-11-13-21(22-15-18)23-19-14-16(2)10-12-20(19)27-3/h5-15H,4H2,1-3H3,(H,22,23)
InChIKeyZSRVFSNFFWASPE-UHFFFAOYSA-N
XLogP4.36
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2-methoxy-5-methylanilino)-N,N-dimethylpyridine-3-sulfonamide
CID 5267586
6-(4-chloro-2-methylanilino)-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 5268362
1-[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]amino]-3-(2-methoxyphenyl)urea
CID 27165444
N,N-diethyl-6-(2-methoxyanilino)pyridine-3-sulfonamide
CID 5267780
N-ethyl-N-phenyl-6-(pyridin-4-ylamino)pyridine-3-sulfonamide
CID 5268351
6-(tert-butylamino)-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 5268345
N-ethyl-6-(2-methoxyethylamino)-N-phenylpyridine-3-sulfonamide
CID 9196231
6-(4-bromoanilino)-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 5268427
N-ethyl-6-methoxy-N-phenylpyridine-3-sulfonamide
CID 5268434
N-ethyl-3,4-dimethoxy-N-phenylbenzenesulfonamide
CID 769001
N-ethyl-6-[2-(4-methoxyphenyl)ethylamino]-N-phenylpyridine-3-sulfonamide
CID 9281334
N-ethyl-6-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-N-phenylpyridine-3-sulfonamide
CID 25378310

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(2-methoxy-5-methylanilino)-N-phenylpyridine-3-sulfonamide?
The IUPAC name of N-ethyl-6-(2-methoxy-5-methylanilino)-N-phenylpyridine-3-sulfonamide (CID 5268347) is N-ethyl-6-(2-methoxy-5-methylanilino)-N-phenylpyridine-3-sulfonamide.
What is the SMILES notation for N-ethyl-6-(2-methoxy-5-methylanilino)-N-phenylpyridine-3-sulfonamide?
The canonical SMILES for N-ethyl-6-(2-methoxy-5-methylanilino)-N-phenylpyridine-3-sulfonamide is CCN(c1ccccc1)S(=O)(=O)c1ccc(Nc2cc(C)ccc2OC)nc1.
What is the InChIKey of N-ethyl-6-(2-methoxy-5-methylanilino)-N-phenylpyridine-3-sulfonamide?
The InChIKey is ZSRVFSNFFWASPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S/c1-4-24(17-8-6-5-7-9-17)28(25,26)18-11-13-21(22-15-18)23-19-14-16(2)10-12-20(19)27-3/h5-15H,4H2,1-3H3,(H,22,23).
What are the key properties of N-ethyl-6-(2-methoxy-5-methylanilino)-N-phenylpyridine-3-sulfonamide?
N-ethyl-6-(2-methoxy-5-methylanilino)-N-phenylpyridine-3-sulfonamide has a molecular weight of 397.50 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(2-methoxy-5-methylanilino)-N-phenylpyridine-3-sulfonamide is sourced from PubChem (CID 5268347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).