6-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-ethyl-N-phenylpyridine-3-sulfonamide

C21H21F2N3O2S — CID 9107729

IUPAC6-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-ethyl-N-phenylpyridine-3-sulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(N[C@H](C)c2ccc(F)c(F)c2)nc1
InChIInChI=1S/C21H21F2N3O2S/c1-3-26(17-7-5-4-6-8-17)29(27,28)18-10-12-21(24-14-18)25-15(2)16-9-11-19(22)20(23)13-16/h4-15H,3H2,1-2H3,(H,24,25)/t15-/m1/s1
InChIKeyANJGYTQUSMQJNK-OAHLLOKOSA-N
MW417.48 g/mol
LogP4.75
Rot. Bonds7

About 6-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-ethyl-N-phenylpyridine-3-sulfonamide

6-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-ethyl-N-phenylpyridine-3-sulfonamide (PubChem CID 9107729) has the molecular formula C21H21F2N3O2S and a molecular weight of 417.48 g/mol. Its IUPAC name is 6-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-ethyl-N-phenylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-ethyl-N-phenylpyridine-3-sulfonamide
PubChem CID9107729
Molecular FormulaC21H21F2N3O2S
Molecular Weight417.48 g/mol
Exact Mass417.13
IUPAC Name6-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-ethyl-N-phenylpyridine-3-sulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(N[C@H](C)c2ccc(F)c(F)c2)nc1
InChIInChI=1S/C21H21F2N3O2S/c1-3-26(17-7-5-4-6-8-17)29(27,28)18-10-12-21(24-14-18)25-15(2)16-9-11-19(22)20(23)13-16/h4-15H,3H2,1-2H3,(H,24,25)/t15-/m1/s1
InChIKeyANJGYTQUSMQJNK-OAHLLOKOSA-N
XLogP4.75
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.48
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(tert-butylamino)-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 5268345
2-[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]amino]pentanoic acid
CID 122060688
N-benzyl-2-[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]amino]propanamide
CID 60570329
6-[[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]amino]-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 55346963
6-(4-chloro-2-methylanilino)-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 5268362
N-ethyl-6-(2-methoxyethylamino)-N-phenylpyridine-3-sulfonamide
CID 9196231
N-ethyl-N-phenyl-6-(pyridin-4-ylamino)pyridine-3-sulfonamide
CID 5268351
N-[1-(3,4-difluorophenyl)ethyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 84929926
6-(cyclohexylamino)-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 5268373
6-(4-bromoanilino)-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 5268427
1-[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]amino]-3-(4-fluorophenyl)urea
CID 27165441
N-ethyl-6-[methyl-[1-(4-methylsulfonylphenyl)ethyl]amino]-N-phenylpyridine-3-sulfonamide
CID 42951292

Frequently Asked Questions

What is the IUPAC name of 6-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-ethyl-N-phenylpyridine-3-sulfonamide?
The IUPAC name of 6-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-ethyl-N-phenylpyridine-3-sulfonamide (CID 9107729) is 6-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-ethyl-N-phenylpyridine-3-sulfonamide.
What is the SMILES notation for 6-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-ethyl-N-phenylpyridine-3-sulfonamide?
The canonical SMILES for 6-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-ethyl-N-phenylpyridine-3-sulfonamide is CCN(c1ccccc1)S(=O)(=O)c1ccc(N[C@H](C)c2ccc(F)c(F)c2)nc1.
What is the InChIKey of 6-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-ethyl-N-phenylpyridine-3-sulfonamide?
The InChIKey is ANJGYTQUSMQJNK-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H21F2N3O2S/c1-3-26(17-7-5-4-6-8-17)29(27,28)18-10-12-21(24-14-18)25-15(2)16-9-11-19(22)20(23)13-16/h4-15H,3H2,1-2H3,(H,24,25)/t15-/m1/s1.
What are the key properties of 6-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-ethyl-N-phenylpyridine-3-sulfonamide?
6-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-ethyl-N-phenylpyridine-3-sulfonamide has a molecular weight of 417.48 g/mol, XLogP of 4.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-ethyl-N-phenylpyridine-3-sulfonamide is sourced from PubChem (CID 9107729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).