6-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]-N-methylpyridine-3-sulfonamide

C15H19N3O3S — CID 133375806

IUPAC6-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]-N-methylpyridine-3-sulfonamide
SMILESCNS(=O)(=O)c1ccc(NCC(O)c2cccc(C)c2)nc1
InChIInChI=1S/C15H19N3O3S/c1-11-4-3-5-12(8-11)14(19)10-18-15-7-6-13(9-17-15)22(20,21)16-2/h3-9,14,16,19H,10H2,1-2H3,(H,17,18)
InChIKeyIDXACBGITAEKKR-UHFFFAOYSA-N
MW321.40 g/mol
LogP1.44
Rot. Bonds6

About 6-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]-N-methylpyridine-3-sulfonamide

6-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]-N-methylpyridine-3-sulfonamide (PubChem CID 133375806) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is 6-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]-N-methylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]-N-methylpyridine-3-sulfonamide
PubChem CID133375806
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Name6-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]-N-methylpyridine-3-sulfonamide
SMILESCNS(=O)(=O)c1ccc(NCC(O)c2cccc(C)c2)nc1
InChIInChI=1S/C15H19N3O3S/c1-11-4-3-5-12(8-11)14(19)10-18-15-7-6-13(9-17-15)22(20,21)16-2/h3-9,14,16,19H,10H2,1-2H3,(H,17,18)
InChIKeyIDXACBGITAEKKR-UHFFFAOYSA-N
XLogP1.44
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(1S)-1-[[(2S)-2-hydroxy-2-(3-methylphenyl)ethyl]amino]ethyl]-N-methylbenzenesulfonamide
CID 97103929
6-[[2-(dimethylamino)-2-(4-methylphenyl)ethyl]amino]-N-methylpyridine-3-sulfonamide
CID 133299226
N-ethyl-6-[[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]amino]pyridine-3-sulfonamide
CID 95763447
6-(ethylamino)-N-methylpyridine-3-sulfonamide
CID 62150384
(1R)-1-(3-methylphenyl)-2-[(6-methyl-2-pyridinyl)amino]ethanol
CID 99704551
(1S)-1-(3-methylphenyl)-2-[(6-methylsulfonylquinazolin-4-yl)amino]ethanol
CID 124743600
2-[(6-ethoxypyrazin-2-yl)amino]-1-(3-methylphenyl)ethanol
CID 133375710
6-(methylamino)-N-[(3-methylphenyl)methyl]pyridine-3-sulfonamide
CID 62146516
1-(3-methylphenyl)-2-[2-nitro-4-(trifluoromethylsulfonyl)anilino]ethanol
CID 133375930
6-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-N-pentan-2-ylpyridine-3-sulfonamide
CID 60579008
5-chloro-6-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]pyridine-3-carboxamide
CID 133375865
2-(2-chloroanilino)-1-(3-methylphenyl)ethanol
CID 82044958

Frequently Asked Questions

What is the IUPAC name of 6-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]-N-methylpyridine-3-sulfonamide?
The IUPAC name of 6-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]-N-methylpyridine-3-sulfonamide (CID 133375806) is 6-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]-N-methylpyridine-3-sulfonamide.
What is the SMILES notation for 6-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]-N-methylpyridine-3-sulfonamide?
The canonical SMILES for 6-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]-N-methylpyridine-3-sulfonamide is CNS(=O)(=O)c1ccc(NCC(O)c2cccc(C)c2)nc1.
What is the InChIKey of 6-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]-N-methylpyridine-3-sulfonamide?
The InChIKey is IDXACBGITAEKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-11-4-3-5-12(8-11)14(19)10-18-15-7-6-13(9-17-15)22(20,21)16-2/h3-9,14,16,19H,10H2,1-2H3,(H,17,18).
What are the key properties of 6-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]-N-methylpyridine-3-sulfonamide?
6-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]-N-methylpyridine-3-sulfonamide has a molecular weight of 321.40 g/mol, XLogP of 1.44, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]-N-methylpyridine-3-sulfonamide is sourced from PubChem (CID 133375806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).