N-ethyl-N-phenyl-6-[[(1R)-1-phenylethyl]amino]pyridin-1-ium-3-sulfonamide

C21H24N3O2S+ — CID 9211245

IUPACN-ethyl-N-phenyl-6-[[(1R)-1-phenylethyl]amino]pyridin-1-ium-3-sulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(N[C@H](C)c2ccccc2)[nH+]c1
InChIInChI=1S/C21H23N3O2S/c1-3-24(19-12-8-5-9-13-19)27(25,26)20-14-15-21(22-16-20)23-17(2)18-10-6-4-7-11-18/h4-17H,3H2,1-2H3,(H,22,23)/p+1/t17-/m1/s1
InChIKeyATHBPOAKVAYEMV-QGZVFWFLSA-O
MW382.51 g/mol
LogP3.89
Rot. Bonds7

About N-ethyl-N-phenyl-6-[[(1R)-1-phenylethyl]amino]pyridin-1-ium-3-sulfonamide

N-ethyl-N-phenyl-6-[[(1R)-1-phenylethyl]amino]pyridin-1-ium-3-sulfonamide (PubChem CID 9211245) has the molecular formula C21H24N3O2S+ and a molecular weight of 382.51 g/mol. Its IUPAC name is N-ethyl-N-phenyl-6-[[(1R)-1-phenylethyl]amino]pyridin-1-ium-3-sulfonamide.

Molecular Properties

Compound NameN-ethyl-N-phenyl-6-[[(1R)-1-phenylethyl]amino]pyridin-1-ium-3-sulfonamide
PubChem CID9211245
Molecular FormulaC21H24N3O2S+
Molecular Weight382.51 g/mol
Exact Mass382.16
IUPAC NameN-ethyl-N-phenyl-6-[[(1R)-1-phenylethyl]amino]pyridin-1-ium-3-sulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(N[C@H](C)c2ccccc2)[nH+]c1
InChIInChI=1S/C21H23N3O2S/c1-3-24(19-12-8-5-9-13-19)27(25,26)20-14-15-21(22-16-20)23-17(2)18-10-6-4-7-11-18/h4-17H,3H2,1-2H3,(H,22,23)/p+1/t17-/m1/s1
InChIKeyATHBPOAKVAYEMV-QGZVFWFLSA-O
XLogP3.89
TPSA63.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-ethyl-1-N,1-N-dimethyl-4-N-phenylbenzene-1,4-disulfonamide
CID 26951667
N-ethyl-6-(4-ethylpiperazin-4-ium-1-yl)-N-phenylpyridin-1-ium-3-sulfonamide
CID 9211443
N-ethyl-4-nitro-N-phenylbenzenesulfonamide
CID 779735
6-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 9107729
3-chloro-N-ethyl-4-methyl-N-phenylbenzenesulfonamide
CID 3859745
3,4-dichloro-N-ethyl-N-phenylbenzenesulfonamide
CID 2234505
6-(tert-butylamino)-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 5268345
N-ethyl-6-oxo-N-phenyl-1H-pyridine-3-sulfonamide
CID 829830
N-ethyl-6-[methyl-[1-(4-methylsulfonylphenyl)ethyl]amino]-N-phenylpyridine-3-sulfonamide
CID 42951292
2-[[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]amino]pentanoic acid
CID 122060688
N-ethyl-3,4-dimethoxy-N-phenylbenzenesulfonamide
CID 769001
2-chloro-5-[ethyl(phenyl)sulfamoyl]-N-(2-methylpropyl)benzamide
CID 7959591

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-phenyl-6-[[(1R)-1-phenylethyl]amino]pyridin-1-ium-3-sulfonamide?
The IUPAC name of N-ethyl-N-phenyl-6-[[(1R)-1-phenylethyl]amino]pyridin-1-ium-3-sulfonamide (CID 9211245) is N-ethyl-N-phenyl-6-[[(1R)-1-phenylethyl]amino]pyridin-1-ium-3-sulfonamide.
What is the SMILES notation for N-ethyl-N-phenyl-6-[[(1R)-1-phenylethyl]amino]pyridin-1-ium-3-sulfonamide?
The canonical SMILES for N-ethyl-N-phenyl-6-[[(1R)-1-phenylethyl]amino]pyridin-1-ium-3-sulfonamide is CCN(c1ccccc1)S(=O)(=O)c1ccc(N[C@H](C)c2ccccc2)[nH+]c1.
What is the InChIKey of N-ethyl-N-phenyl-6-[[(1R)-1-phenylethyl]amino]pyridin-1-ium-3-sulfonamide?
The InChIKey is ATHBPOAKVAYEMV-QGZVFWFLSA-O. The full InChI is InChI=1S/C21H23N3O2S/c1-3-24(19-12-8-5-9-13-19)27(25,26)20-14-15-21(22-16-20)23-17(2)18-10-6-4-7-11-18/h4-17H,3H2,1-2H3,(H,22,23)/p+1/t17-/m1/s1.
What are the key properties of N-ethyl-N-phenyl-6-[[(1R)-1-phenylethyl]amino]pyridin-1-ium-3-sulfonamide?
N-ethyl-N-phenyl-6-[[(1R)-1-phenylethyl]amino]pyridin-1-ium-3-sulfonamide has a molecular weight of 382.51 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-phenyl-6-[[(1R)-1-phenylethyl]amino]pyridin-1-ium-3-sulfonamide is sourced from PubChem (CID 9211245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).