3-[[(5-hydroxy-2-pyridinyl)methylamino]methyl]benzenesulfonamide

C13H15N3O3S — CID 79783825

IUPAC3-[[(5-hydroxy-2-pyridinyl)methylamino]methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(CNCc2ccc(O)cn2)c1
InChIInChI=1S/C13H15N3O3S/c14-20(18,19)13-3-1-2-10(6-13)7-15-8-11-4-5-12(17)9-16-11/h1-6,9,15,17H,7-8H2,(H2,14,18,19)
InChIKeyNPGJDMWTOLAAAJ-UHFFFAOYSA-N
MW293.35 g/mol
LogP0.72
Rot. Bonds5

About 3-[[(5-hydroxy-2-pyridinyl)methylamino]methyl]benzenesulfonamide

3-[[(5-hydroxy-2-pyridinyl)methylamino]methyl]benzenesulfonamide (PubChem CID 79783825) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is 3-[[(5-hydroxy-2-pyridinyl)methylamino]methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-[[(5-hydroxy-2-pyridinyl)methylamino]methyl]benzenesulfonamide
PubChem CID79783825
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC Name3-[[(5-hydroxy-2-pyridinyl)methylamino]methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(CNCc2ccc(O)cn2)c1
InChIInChI=1S/C13H15N3O3S/c14-20(18,19)13-3-1-2-10(6-13)7-15-8-11-4-5-12(17)9-16-11/h1-6,9,15,17H,7-8H2,(H2,14,18,19)
InChIKeyNPGJDMWTOLAAAJ-UHFFFAOYSA-N
XLogP0.72
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[(2,3-dihydroxyphenyl)methylamino]methyl]benzenesulfonamide
CID 61319103
6-[[(3-nitrophenyl)methylamino]methyl]pyridin-3-ol
CID 79794001
3-[[(4-methylphenyl)methylamino]methyl]benzenesulfonamide
CID 60860114
3-[[(3-chlorophenyl)methylamino]methyl]benzenesulfonamide
CID 60858657
3-bromo-4-[(5-hydroxy-2-pyridinyl)methylamino]benzenesulfonamide
CID 79783627
3-[[(3-chloro-2-hydroxyphenyl)methylamino]methyl]benzenesulfonamide
CID 115951552
3-[[[5-(hydroxymethyl)furan-2-yl]methylamino]methyl]benzenesulfonamide
CID 64592159
3-[[(1-methylpyrrol-2-yl)methylamino]methyl]benzenesulfonamide
CID 62131867
3-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]benzenesulfonamide
CID 60857834
3-[[(4-bromo-3-methylphenyl)methylamino]methyl]benzenesulfonamide
CID 66474654
3-[[(5-bromothiophen-3-yl)methylamino]methyl]benzenesulfonamide
CID 54927129
N-[(3-methylphenyl)methyl]-1-(5-methyl-2-pyridinyl)methanamine
CID 80708063

Frequently Asked Questions

What is the IUPAC name of 3-[[(5-hydroxy-2-pyridinyl)methylamino]methyl]benzenesulfonamide?
The IUPAC name of 3-[[(5-hydroxy-2-pyridinyl)methylamino]methyl]benzenesulfonamide (CID 79783825) is 3-[[(5-hydroxy-2-pyridinyl)methylamino]methyl]benzenesulfonamide.
What is the SMILES notation for 3-[[(5-hydroxy-2-pyridinyl)methylamino]methyl]benzenesulfonamide?
The canonical SMILES for 3-[[(5-hydroxy-2-pyridinyl)methylamino]methyl]benzenesulfonamide is NS(=O)(=O)c1cccc(CNCc2ccc(O)cn2)c1.
What is the InChIKey of 3-[[(5-hydroxy-2-pyridinyl)methylamino]methyl]benzenesulfonamide?
The InChIKey is NPGJDMWTOLAAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c14-20(18,19)13-3-1-2-10(6-13)7-15-8-11-4-5-12(17)9-16-11/h1-6,9,15,17H,7-8H2,(H2,14,18,19).
What are the key properties of 3-[[(5-hydroxy-2-pyridinyl)methylamino]methyl]benzenesulfonamide?
3-[[(5-hydroxy-2-pyridinyl)methylamino]methyl]benzenesulfonamide has a molecular weight of 293.35 g/mol, XLogP of 0.72, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(5-hydroxy-2-pyridinyl)methylamino]methyl]benzenesulfonamide is sourced from PubChem (CID 79783825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).