3-bromo-4-[(5-hydroxy-2-pyridinyl)methylamino]benzenesulfonamide

C12H12BrN3O3S — CID 79783627

IUPAC3-bromo-4-[(5-hydroxy-2-pyridinyl)methylamino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NCc2ccc(O)cn2)c(Br)c1
InChIInChI=1S/C12H12BrN3O3S/c13-11-5-10(20(14,18)19)3-4-12(11)16-6-8-1-2-9(17)7-15-8/h1-5,7,16-17H,6H2,(H2,14,18,19)
InChIKeyZAMODXRHWRQUTN-UHFFFAOYSA-N
MW358.22 g/mol
LogP1.81
Rot. Bonds4

About 3-bromo-4-[(5-hydroxy-2-pyridinyl)methylamino]benzenesulfonamide

3-bromo-4-[(5-hydroxy-2-pyridinyl)methylamino]benzenesulfonamide (PubChem CID 79783627) has the molecular formula C12H12BrN3O3S and a molecular weight of 358.22 g/mol. Its IUPAC name is 3-bromo-4-[(5-hydroxy-2-pyridinyl)methylamino]benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-4-[(5-hydroxy-2-pyridinyl)methylamino]benzenesulfonamide
PubChem CID79783627
Molecular FormulaC12H12BrN3O3S
Molecular Weight358.22 g/mol
Exact Mass356.98
IUPAC Name3-bromo-4-[(5-hydroxy-2-pyridinyl)methylamino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NCc2ccc(O)cn2)c(Br)c1
InChIInChI=1S/C12H12BrN3O3S/c13-11-5-10(20(14,18)19)3-4-12(11)16-6-8-1-2-9(17)7-15-8/h1-5,7,16-17H,6H2,(H2,14,18,19)
InChIKeyZAMODXRHWRQUTN-UHFFFAOYSA-N
XLogP1.81
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.22
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-bromo-4-[(5-hydroxy-2-pyridinyl)methylamino]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(5-hydroxy-2-pyridinyl)methylamino]-4,5-dimethylbenzenesulfonamide
CID 79782258
3-bromo-4-[(2-methylpyrimidin-4-yl)methylamino]benzenesulfonamide
CID 62747707
6-[(2,5-dibromoanilino)methyl]pyridin-3-ol
CID 79782859
6-[(2-methyl-5-methylsulfonylanilino)methyl]pyridin-3-ol
CID 79775709
3-bromo-4-(1,3-thiazol-2-ylmethylamino)benzenesulfonamide
CID 55248530
6-[(2-bromo-4-methyl-5-nitroanilino)methyl]pyridin-3-ol
CID 104815034
3-bromo-4-[(2-hydroxy-3-methylphenyl)methylamino]benzenesulfonamide
CID 115951514
3-bromo-4-[(3-chloro-2-hydroxyphenyl)methylamino]benzenesulfonamide
CID 115951515
4-[(5-hydroxy-2-pyridinyl)methylamino]-3-methylbenzamide
CID 79776352
6-[(2,3,4-trifluoroanilino)methyl]pyridin-3-ol
CID 79775562
3-bromo-4-[(5-methylthiophen-2-yl)methylamino]benzenesulfonamide
CID 43745616
3-bromo-4-[(4-cyanothiophen-2-yl)methylamino]benzenesulfonamide
CID 79614192

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-[(5-hydroxy-2-pyridinyl)methylamino]benzenesulfonamide?
The IUPAC name of 3-bromo-4-[(5-hydroxy-2-pyridinyl)methylamino]benzenesulfonamide (CID 79783627) is 3-bromo-4-[(5-hydroxy-2-pyridinyl)methylamino]benzenesulfonamide.
What is the SMILES notation for 3-bromo-4-[(5-hydroxy-2-pyridinyl)methylamino]benzenesulfonamide?
The canonical SMILES for 3-bromo-4-[(5-hydroxy-2-pyridinyl)methylamino]benzenesulfonamide is NS(=O)(=O)c1ccc(NCc2ccc(O)cn2)c(Br)c1.
What is the InChIKey of 3-bromo-4-[(5-hydroxy-2-pyridinyl)methylamino]benzenesulfonamide?
The InChIKey is ZAMODXRHWRQUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O3S/c13-11-5-10(20(14,18)19)3-4-12(11)16-6-8-1-2-9(17)7-15-8/h1-5,7,16-17H,6H2,(H2,14,18,19).
What are the key properties of 3-bromo-4-[(5-hydroxy-2-pyridinyl)methylamino]benzenesulfonamide?
3-bromo-4-[(5-hydroxy-2-pyridinyl)methylamino]benzenesulfonamide has a molecular weight of 358.22 g/mol, XLogP of 1.81, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-[(5-hydroxy-2-pyridinyl)methylamino]benzenesulfonamide is sourced from PubChem (CID 79783627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).