N-ethyl-6-[[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]amino]pyridine-3-sulfonamide

C15H18FN3O3S — CID 95763447

IUPACN-ethyl-6-[[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]amino]pyridine-3-sulfonamide
SMILESCCNS(=O)(=O)c1ccc(NC[C@H](O)c2ccc(F)cc2)nc1
InChIInChI=1S/C15H18FN3O3S/c1-2-19-23(21,22)13-7-8-15(17-9-13)18-10-14(20)11-3-5-12(16)6-4-11/h3-9,14,19-20H,2,10H2,1H3,(H,17,18)/t14-/m0/s1
InChIKeyOCGQYHKUDISVQX-AWEZNQCLSA-N
MW339.39 g/mol
LogP1.66
Rot. Bonds7

About N-ethyl-6-[[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]amino]pyridine-3-sulfonamide

N-ethyl-6-[[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]amino]pyridine-3-sulfonamide (PubChem CID 95763447) has the molecular formula C15H18FN3O3S and a molecular weight of 339.39 g/mol. Its IUPAC name is N-ethyl-6-[[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]amino]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-ethyl-6-[[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]amino]pyridine-3-sulfonamide
PubChem CID95763447
Molecular FormulaC15H18FN3O3S
Molecular Weight339.39 g/mol
Exact Mass339.11
IUPAC NameN-ethyl-6-[[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]amino]pyridine-3-sulfonamide
SMILESCCNS(=O)(=O)c1ccc(NC[C@H](O)c2ccc(F)cc2)nc1
InChIInChI=1S/C15H18FN3O3S/c1-2-19-23(21,22)13-7-8-15(17-9-13)18-10-14(20)11-3-5-12(16)6-4-11/h3-9,14,19-20H,2,10H2,1H3,(H,17,18)/t14-/m0/s1
InChIKeyOCGQYHKUDISVQX-AWEZNQCLSA-N
XLogP1.66
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-N-pentan-2-ylpyridine-3-sulfonamide
CID 60579008
6-(ethylamino)-N-(4-fluorophenyl)pyridine-3-sulfonamide
CID 62145209
6-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]-N-methylpyridine-3-sulfonamide
CID 133375806
N-(4-fluorophenyl)-6-(propylamino)pyridine-3-sulfonamide
CID 62145210
6-(ethylamino)-N-methylpyridine-3-sulfonamide
CID 62150384
1-(4-methoxyphenyl)-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]amino]ethanol
CID 55680878
2-[4-(difluoromethylsulfonyl)anilino]-1-(4-fluorophenyl)ethanol
CID 51086768
N-[2-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]ethyl]methanesulfonamide
CID 54938767
4-fluoro-N-(2-hydroxypropyl)benzenesulfonamide
CID 43394414
N-(2-chloro-5-fluorophenyl)-6-(ethylamino)pyridine-3-sulfonamide
CID 107531127
N-(2,2-dimethylbutyl)-6-(ethylamino)pyridine-3-sulfonamide
CID 103464350
2-(4-fluoroanilino)-1-(4-fluorophenyl)ethanol
CID 60719916

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-[[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]amino]pyridine-3-sulfonamide?
The IUPAC name of N-ethyl-6-[[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]amino]pyridine-3-sulfonamide (CID 95763447) is N-ethyl-6-[[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]amino]pyridine-3-sulfonamide.
What is the SMILES notation for N-ethyl-6-[[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]amino]pyridine-3-sulfonamide?
The canonical SMILES for N-ethyl-6-[[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]amino]pyridine-3-sulfonamide is CCNS(=O)(=O)c1ccc(NC[C@H](O)c2ccc(F)cc2)nc1.
What is the InChIKey of N-ethyl-6-[[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]amino]pyridine-3-sulfonamide?
The InChIKey is OCGQYHKUDISVQX-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H18FN3O3S/c1-2-19-23(21,22)13-7-8-15(17-9-13)18-10-14(20)11-3-5-12(16)6-4-11/h3-9,14,19-20H,2,10H2,1H3,(H,17,18)/t14-/m0/s1.
What are the key properties of N-ethyl-6-[[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]amino]pyridine-3-sulfonamide?
N-ethyl-6-[[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]amino]pyridine-3-sulfonamide has a molecular weight of 339.39 g/mol, XLogP of 1.66, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-[[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]amino]pyridine-3-sulfonamide is sourced from PubChem (CID 95763447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).