6-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-N-pentan-2-ylpyridine-3-sulfonamide

C18H24FN3O3S — CID 60579008

IUPAC6-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-N-pentan-2-ylpyridine-3-sulfonamide
SMILESCCCC(C)NS(=O)(=O)c1ccc(NCC(O)c2ccc(F)cc2)nc1
InChIInChI=1S/C18H24FN3O3S/c1-3-4-13(2)22-26(24,25)16-9-10-18(20-11-16)21-12-17(23)14-5-7-15(19)8-6-14/h5-11,13,17,22-23H,3-4,12H2,1-2H3,(H,20,21)
InChIKeySSVRPFAKOBYYTO-UHFFFAOYSA-N
MW381.47 g/mol
LogP2.83
Rot. Bonds9

About 6-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-N-pentan-2-ylpyridine-3-sulfonamide

6-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-N-pentan-2-ylpyridine-3-sulfonamide (PubChem CID 60579008) has the molecular formula C18H24FN3O3S and a molecular weight of 381.47 g/mol. Its IUPAC name is 6-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-N-pentan-2-ylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-N-pentan-2-ylpyridine-3-sulfonamide
PubChem CID60579008
Molecular FormulaC18H24FN3O3S
Molecular Weight381.47 g/mol
Exact Mass381.15
IUPAC Name6-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-N-pentan-2-ylpyridine-3-sulfonamide
SMILESCCCC(C)NS(=O)(=O)c1ccc(NCC(O)c2ccc(F)cc2)nc1
InChIInChI=1S/C18H24FN3O3S/c1-3-4-13(2)22-26(24,25)16-9-10-18(20-11-16)21-12-17(23)14-5-7-15(19)8-6-14/h5-11,13,17,22-23H,3-4,12H2,1-2H3,(H,20,21)
InChIKeySSVRPFAKOBYYTO-UHFFFAOYSA-N
XLogP2.83
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.47
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-6-[[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]amino]pyridine-3-sulfonamide
CID 95763447
6-(methylamino)-N-pentan-2-ylpyridine-3-sulfonamide
CID 55044216
6-[(2-methoxyphenyl)methylamino]-N-pentan-2-ylpyridine-3-sulfonamide
CID 55986852
N-hexan-2-yl-6-(methylamino)pyridine-3-sulfonamide
CID 62200287
(1R)-1-(4-fluorophenyl)-2-[[(2R)-pentan-2-yl]amino]ethanol
CID 138488448
6-[[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]-N-pentan-2-ylpyridine-3-sulfonamide
CID 55987367
N-(4-fluorophenyl)-6-(propylamino)pyridine-3-sulfonamide
CID 62145210
6-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]-N-methylpyridine-3-sulfonamide
CID 133375806
6-(ethylamino)-N-(4-fluorophenyl)pyridine-3-sulfonamide
CID 62145209
N-(3-methylbutan-2-yl)-6-(propylamino)pyridine-3-sulfonamide
CID 62143390
(2S)-2-[(4-fluorophenyl)sulfonylamino]-N-[(2R)-pentan-2-yl]propanamide
CID 40612538
4-[1-(methylamino)ethyl]-N-pentan-2-ylbenzenesulfonamide
CID 43506825

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-N-pentan-2-ylpyridine-3-sulfonamide?
The IUPAC name of 6-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-N-pentan-2-ylpyridine-3-sulfonamide (CID 60579008) is 6-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-N-pentan-2-ylpyridine-3-sulfonamide.
What is the SMILES notation for 6-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-N-pentan-2-ylpyridine-3-sulfonamide?
The canonical SMILES for 6-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-N-pentan-2-ylpyridine-3-sulfonamide is CCCC(C)NS(=O)(=O)c1ccc(NCC(O)c2ccc(F)cc2)nc1.
What is the InChIKey of 6-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-N-pentan-2-ylpyridine-3-sulfonamide?
The InChIKey is SSVRPFAKOBYYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O3S/c1-3-4-13(2)22-26(24,25)16-9-10-18(20-11-16)21-12-17(23)14-5-7-15(19)8-6-14/h5-11,13,17,22-23H,3-4,12H2,1-2H3,(H,20,21).
What are the key properties of 6-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-N-pentan-2-ylpyridine-3-sulfonamide?
6-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-N-pentan-2-ylpyridine-3-sulfonamide has a molecular weight of 381.47 g/mol, XLogP of 2.83, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-N-pentan-2-ylpyridine-3-sulfonamide is sourced from PubChem (CID 60579008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).