N-ethyl-N-phenyl-6-(pyridin-4-ylamino)pyridine-3-sulfonamide

C18H18N4O2S — CID 5268351

IUPACN-ethyl-N-phenyl-6-(pyridin-4-ylamino)pyridine-3-sulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(Nc2ccncc2)nc1
InChIInChI=1S/C18H18N4O2S/c1-2-22(16-6-4-3-5-7-16)25(23,24)17-8-9-18(20-14-17)21-15-10-12-19-13-11-15/h3-14H,2H2,1H3,(H,19,20,21)
InChIKeyNPHQNRADANODIS-UHFFFAOYSA-N
MW354.44 g/mol
LogP3.44
Rot. Bonds6

About N-ethyl-N-phenyl-6-(pyridin-4-ylamino)pyridine-3-sulfonamide

N-ethyl-N-phenyl-6-(pyridin-4-ylamino)pyridine-3-sulfonamide (PubChem CID 5268351) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is N-ethyl-N-phenyl-6-(pyridin-4-ylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-ethyl-N-phenyl-6-(pyridin-4-ylamino)pyridine-3-sulfonamide
PubChem CID5268351
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC NameN-ethyl-N-phenyl-6-(pyridin-4-ylamino)pyridine-3-sulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(Nc2ccncc2)nc1
InChIInChI=1S/C18H18N4O2S/c1-2-22(16-6-4-3-5-7-16)25(23,24)17-8-9-18(20-14-17)21-15-10-12-19-13-11-15/h3-14H,2H2,1H3,(H,19,20,21)
InChIKeyNPHQNRADANODIS-UHFFFAOYSA-N
XLogP3.44
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-bromoanilino)-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 5268427
6-(tert-butylamino)-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 5268345
N-ethyl-6-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-N-phenylpyridine-3-sulfonamide
CID 25378310
6-anilino-N,N-diethylpyridine-3-sulfonamide
CID 829839
6-(4-chloro-2-methylanilino)-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 5268362
6-(cyclohexylamino)-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 5268373
N-ethyl-6-(2-methoxyethylamino)-N-phenylpyridine-3-sulfonamide
CID 9196231
N-ethyl-N-phenyl-6-(thiophen-2-ylmethylamino)pyridine-3-sulfonamide
CID 9111880
N-ethyl-6-(2-methoxy-5-methylanilino)-N-phenylpyridine-3-sulfonamide
CID 5268347
4-[ethyl(phenyl)sulfamoyl]-N-pyridin-4-ylbenzamide
CID 24980451
6-chloro-N-ethyl-N-pyridin-4-ylpyridine-3-sulfonamide
CID 113258214
2-[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]amino]pentanoic acid
CID 122060688

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-phenyl-6-(pyridin-4-ylamino)pyridine-3-sulfonamide?
The IUPAC name of N-ethyl-N-phenyl-6-(pyridin-4-ylamino)pyridine-3-sulfonamide (CID 5268351) is N-ethyl-N-phenyl-6-(pyridin-4-ylamino)pyridine-3-sulfonamide.
What is the SMILES notation for N-ethyl-N-phenyl-6-(pyridin-4-ylamino)pyridine-3-sulfonamide?
The canonical SMILES for N-ethyl-N-phenyl-6-(pyridin-4-ylamino)pyridine-3-sulfonamide is CCN(c1ccccc1)S(=O)(=O)c1ccc(Nc2ccncc2)nc1.
What is the InChIKey of N-ethyl-N-phenyl-6-(pyridin-4-ylamino)pyridine-3-sulfonamide?
The InChIKey is NPHQNRADANODIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S/c1-2-22(16-6-4-3-5-7-16)25(23,24)17-8-9-18(20-14-17)21-15-10-12-19-13-11-15/h3-14H,2H2,1H3,(H,19,20,21).
What are the key properties of N-ethyl-N-phenyl-6-(pyridin-4-ylamino)pyridine-3-sulfonamide?
N-ethyl-N-phenyl-6-(pyridin-4-ylamino)pyridine-3-sulfonamide has a molecular weight of 354.44 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-phenyl-6-(pyridin-4-ylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 5268351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).