5-bromo-N-[(2-methoxy-4-pyridinyl)methyl]-2-methylbenzenesulfonamide

C14H15BrN2O3S — CID 36582613

IUPAC5-bromo-N-[(2-methoxy-4-pyridinyl)methyl]-2-methylbenzenesulfonamide
SMILESCOc1cc(CNS(=O)(=O)c2cc(Br)ccc2C)ccn1
InChIInChI=1S/C14H15BrN2O3S/c1-10-3-4-12(15)8-13(10)21(18,19)17-9-11-5-6-16-14(7-11)20-2/h3-8,17H,9H2,1-2H3
InChIKeyQGYODDBLZNIUAS-UHFFFAOYSA-N
MW371.26 g/mol
LogP2.64
Rot. Bonds5

About 5-bromo-N-[(2-methoxy-4-pyridinyl)methyl]-2-methylbenzenesulfonamide

5-bromo-N-[(2-methoxy-4-pyridinyl)methyl]-2-methylbenzenesulfonamide (PubChem CID 36582613) has the molecular formula C14H15BrN2O3S and a molecular weight of 371.26 g/mol. Its IUPAC name is 5-bromo-N-[(2-methoxy-4-pyridinyl)methyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-bromo-N-[(2-methoxy-4-pyridinyl)methyl]-2-methylbenzenesulfonamide
PubChem CID36582613
Molecular FormulaC14H15BrN2O3S
Molecular Weight371.26 g/mol
Exact Mass370.00
IUPAC Name5-bromo-N-[(2-methoxy-4-pyridinyl)methyl]-2-methylbenzenesulfonamide
SMILESCOc1cc(CNS(=O)(=O)c2cc(Br)ccc2C)ccn1
InChIInChI=1S/C14H15BrN2O3S/c1-10-3-4-12(15)8-13(10)21(18,19)17-9-11-5-6-16-14(7-11)20-2/h3-8,17H,9H2,1-2H3
InChIKeyQGYODDBLZNIUAS-UHFFFAOYSA-N
XLogP2.64
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.26
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-bromo-N-[(2-methoxy-4-pyridinyl)methyl]-2-methylbenzenesulfonamide 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-chloro-N-[(2-methoxy-4-pyridinyl)methyl]-4-methylbenzenesulfonamide
CID 39630547
5-bromo-N-[[3-(methoxymethyl)phenyl]methyl]-2-methylbenzenesulfonamide
CID 60539837
5-(aminomethyl)-N-[(2-methoxy-4-pyridinyl)methyl]-2-methylfuran-3-sulfonamide
CID 106062062
2-(aminomethyl)-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-3-sulfonamide
CID 106594468
2-amino-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-4-sulfonamide
CID 62991116
5-bromo-N-[(3,5-dimethylphenyl)methyl]-2-methoxybenzenesulfonamide
CID 25047268
N-[(2-methoxy-4-pyridinyl)methyl]-2-(methylamino)pyrimidine-5-sulfonamide
CID 62990758
N-[(2-methoxy-4-pyridinyl)methyl]-6-(methylamino)pyridine-3-sulfonamide
CID 62989683
N-[(2-methoxy-4-pyridinyl)methyl]-3-methylsulfonylbenzenesulfonamide
CID 55559063
3-amino-1-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]pyrazole-4-sulfonamide
CID 62991122
5-bromo-2-methyl-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
CID 79477683
4-bromo-2-N-[(2-methoxy-4-pyridinyl)methyl]benzene-1,2-diamine
CID 65342517

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2-methoxy-4-pyridinyl)methyl]-2-methylbenzenesulfonamide?
The IUPAC name of 5-bromo-N-[(2-methoxy-4-pyridinyl)methyl]-2-methylbenzenesulfonamide (CID 36582613) is 5-bromo-N-[(2-methoxy-4-pyridinyl)methyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-bromo-N-[(2-methoxy-4-pyridinyl)methyl]-2-methylbenzenesulfonamide?
The canonical SMILES for 5-bromo-N-[(2-methoxy-4-pyridinyl)methyl]-2-methylbenzenesulfonamide is COc1cc(CNS(=O)(=O)c2cc(Br)ccc2C)ccn1.
What is the InChIKey of 5-bromo-N-[(2-methoxy-4-pyridinyl)methyl]-2-methylbenzenesulfonamide?
The InChIKey is QGYODDBLZNIUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O3S/c1-10-3-4-12(15)8-13(10)21(18,19)17-9-11-5-6-16-14(7-11)20-2/h3-8,17H,9H2,1-2H3.
What are the key properties of 5-bromo-N-[(2-methoxy-4-pyridinyl)methyl]-2-methylbenzenesulfonamide?
5-bromo-N-[(2-methoxy-4-pyridinyl)methyl]-2-methylbenzenesulfonamide has a molecular weight of 371.26 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2-methoxy-4-pyridinyl)methyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 36582613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).