6-[(2-methyl-5-methylsulfonylanilino)methyl]pyridin-3-ol

C14H16N2O3S — CID 79775709

IUPAC6-[(2-methyl-5-methylsulfonylanilino)methyl]pyridin-3-ol
SMILESCc1ccc(S(C)(=O)=O)cc1NCc1ccc(O)cn1
InChIInChI=1S/C14H16N2O3S/c1-10-3-6-13(20(2,18)19)7-14(10)16-8-11-4-5-12(17)9-15-11/h3-7,9,16-17H,8H2,1-2H3
InChIKeyHMGSQWOKDZLVJJ-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.11
Rot. Bonds4

About 6-[(2-methyl-5-methylsulfonylanilino)methyl]pyridin-3-ol

6-[(2-methyl-5-methylsulfonylanilino)methyl]pyridin-3-ol (PubChem CID 79775709) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is 6-[(2-methyl-5-methylsulfonylanilino)methyl]pyridin-3-ol.

Molecular Properties

Compound Name6-[(2-methyl-5-methylsulfonylanilino)methyl]pyridin-3-ol
PubChem CID79775709
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name6-[(2-methyl-5-methylsulfonylanilino)methyl]pyridin-3-ol
SMILESCc1ccc(S(C)(=O)=O)cc1NCc1ccc(O)cn1
InChIInChI=1S/C14H16N2O3S/c1-10-3-6-13(20(2,18)19)7-14(10)16-8-11-4-5-12(17)9-15-11/h3-7,9,16-17H,8H2,1-2H3
InChIKeyHMGSQWOKDZLVJJ-UHFFFAOYSA-N
XLogP2.11
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(5-hydroxy-2-pyridinyl)methylamino]-4,5-dimethylbenzenesulfonamide
CID 79782258
2-chloro-N-[(5-methyl-2-pyridinyl)methyl]-5-methylsulfonylaniline
CID 81311269
4-[(2-methyl-5-methylsulfonylanilino)methyl]benzene-1,2-diol
CID 43685118
3-bromo-4-[(5-hydroxy-2-pyridinyl)methylamino]benzenesulfonamide
CID 79783627
3-[(2-methyl-5-methylsulfonylanilino)methyl]benzene-1,2-diol
CID 61317456
2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-methylsulfonylaniline
CID 43074571
2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-methylsulfonylaniline
CID 43685075
4-[(5-hydroxy-2-pyridinyl)methylamino]-3-methylbenzamide
CID 79776352
6-[(2-bromo-4-methyl-5-nitroanilino)methyl]pyridin-3-ol
CID 104815034
N-[(3-bromo-4-methylphenyl)methyl]-2-methyl-5-methylsulfonylaniline
CID 105401189
6-[(2-fluoro-5-methylanilino)methyl]pyridin-3-ol
CID 79776132
N-[(3-fluoro-4-methylphenyl)methyl]-2-methyl-5-methylsulfonylaniline
CID 63644519

Frequently Asked Questions

What is the IUPAC name of 6-[(2-methyl-5-methylsulfonylanilino)methyl]pyridin-3-ol?
The IUPAC name of 6-[(2-methyl-5-methylsulfonylanilino)methyl]pyridin-3-ol (CID 79775709) is 6-[(2-methyl-5-methylsulfonylanilino)methyl]pyridin-3-ol.
What is the SMILES notation for 6-[(2-methyl-5-methylsulfonylanilino)methyl]pyridin-3-ol?
The canonical SMILES for 6-[(2-methyl-5-methylsulfonylanilino)methyl]pyridin-3-ol is Cc1ccc(S(C)(=O)=O)cc1NCc1ccc(O)cn1.
What is the InChIKey of 6-[(2-methyl-5-methylsulfonylanilino)methyl]pyridin-3-ol?
The InChIKey is HMGSQWOKDZLVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-10-3-6-13(20(2,18)19)7-14(10)16-8-11-4-5-12(17)9-15-11/h3-7,9,16-17H,8H2,1-2H3.
What are the key properties of 6-[(2-methyl-5-methylsulfonylanilino)methyl]pyridin-3-ol?
6-[(2-methyl-5-methylsulfonylanilino)methyl]pyridin-3-ol has a molecular weight of 292.36 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methyl-5-methylsulfonylanilino)methyl]pyridin-3-ol is sourced from PubChem (CID 79775709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).