2-bromo-N-[(6-methoxy-3-pyridinyl)methyl]benzenesulfonamide

C13H13BrN2O3S — CID 51320454

IUPAC2-bromo-N-[(6-methoxy-3-pyridinyl)methyl]benzenesulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2ccccc2Br)cn1
InChIInChI=1S/C13H13BrN2O3S/c1-19-13-7-6-10(8-15-13)9-16-20(17,18)12-5-3-2-4-11(12)14/h2-8,16H,9H2,1H3
InChIKeyXJGOVSNDBSMZJB-UHFFFAOYSA-N
MW357.23 g/mol
LogP2.33
Rot. Bonds5

About 2-bromo-N-[(6-methoxy-3-pyridinyl)methyl]benzenesulfonamide

2-bromo-N-[(6-methoxy-3-pyridinyl)methyl]benzenesulfonamide (PubChem CID 51320454) has the molecular formula C13H13BrN2O3S and a molecular weight of 357.23 g/mol. Its IUPAC name is 2-bromo-N-[(6-methoxy-3-pyridinyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-[(6-methoxy-3-pyridinyl)methyl]benzenesulfonamide
PubChem CID51320454
Molecular FormulaC13H13BrN2O3S
Molecular Weight357.23 g/mol
Exact Mass355.98
IUPAC Name2-bromo-N-[(6-methoxy-3-pyridinyl)methyl]benzenesulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2ccccc2Br)cn1
InChIInChI=1S/C13H13BrN2O3S/c1-19-13-7-6-10(8-15-13)9-16-20(17,18)12-5-3-2-4-11(12)14/h2-8,16H,9H2,1H3
InChIKeyXJGOVSNDBSMZJB-UHFFFAOYSA-N
XLogP2.33
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.23
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-2-bromo-N-[(6-methoxy-3-pyridinyl)methyl]benzenesulfonamide
CID 62990223
2-cyano-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-3-sulfonamide
CID 106545345
4-bromo-N-[(6-methoxy-3-pyridinyl)methyl]-3-methylbenzenesulfonamide
CID 51320453
methyl 4-[[(2-bromophenyl)sulfonylamino]methyl]benzoate
CID 55353323
2-amino-5-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]benzenesulfonamide
CID 62990585
2-bromo-N-[[4-(bromomethyl)phenyl]methyl]benzenesulfonamide
CID 107233934
N-[(6-methoxy-3-pyridinyl)methyl]-4-propylbenzenesulfonamide
CID 51320441
N-[(6-methoxy-3-pyridinyl)methyl]-4-(methylamino)benzenesulfonamide
CID 62989325
6-hydrazinyl-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-3-sulfonamide
CID 62990289
3,4-dichloro-N-[(6-methoxy-3-pyridinyl)methyl]benzenesulfonamide
CID 134036423
2-bromo-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide
CID 61384326
2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-1,3-thiazole-5-sulfonamide
CID 61249590

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(6-methoxy-3-pyridinyl)methyl]benzenesulfonamide?
The IUPAC name of 2-bromo-N-[(6-methoxy-3-pyridinyl)methyl]benzenesulfonamide (CID 51320454) is 2-bromo-N-[(6-methoxy-3-pyridinyl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-[(6-methoxy-3-pyridinyl)methyl]benzenesulfonamide?
The canonical SMILES for 2-bromo-N-[(6-methoxy-3-pyridinyl)methyl]benzenesulfonamide is COc1ccc(CNS(=O)(=O)c2ccccc2Br)cn1.
What is the InChIKey of 2-bromo-N-[(6-methoxy-3-pyridinyl)methyl]benzenesulfonamide?
The InChIKey is XJGOVSNDBSMZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O3S/c1-19-13-7-6-10(8-15-13)9-16-20(17,18)12-5-3-2-4-11(12)14/h2-8,16H,9H2,1H3.
What are the key properties of 2-bromo-N-[(6-methoxy-3-pyridinyl)methyl]benzenesulfonamide?
2-bromo-N-[(6-methoxy-3-pyridinyl)methyl]benzenesulfonamide has a molecular weight of 357.23 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(6-methoxy-3-pyridinyl)methyl]benzenesulfonamide is sourced from PubChem (CID 51320454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).