5-bromo-2-methoxy-N-(2-methyl-4-pyridinyl)benzenesulfonamide

C13H13BrN2O3S — CID 78955910

IUPAC5-bromo-2-methoxy-N-(2-methyl-4-pyridinyl)benzenesulfonamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)Nc1ccnc(C)c1
InChIInChI=1S/C13H13BrN2O3S/c1-9-7-11(5-6-15-9)16-20(17,18)13-8-10(14)3-4-12(13)19-2/h3-8H,1-2H3,(H,15,16)
InChIKeyQCBMFDNPPJRWAP-UHFFFAOYSA-N
MW357.23 g/mol
LogP2.96
Rot. Bonds4

About 5-bromo-2-methoxy-N-(2-methyl-4-pyridinyl)benzenesulfonamide

5-bromo-2-methoxy-N-(2-methyl-4-pyridinyl)benzenesulfonamide (PubChem CID 78955910) has the molecular formula C13H13BrN2O3S and a molecular weight of 357.23 g/mol. Its IUPAC name is 5-bromo-2-methoxy-N-(2-methyl-4-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name5-bromo-2-methoxy-N-(2-methyl-4-pyridinyl)benzenesulfonamide
PubChem CID78955910
Molecular FormulaC13H13BrN2O3S
Molecular Weight357.23 g/mol
Exact Mass355.98
IUPAC Name5-bromo-2-methoxy-N-(2-methyl-4-pyridinyl)benzenesulfonamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)Nc1ccnc(C)c1
InChIInChI=1S/C13H13BrN2O3S/c1-9-7-11(5-6-15-9)16-20(17,18)13-8-10(14)3-4-12(13)19-2/h3-8H,1-2H3,(H,15,16)
InChIKeyQCBMFDNPPJRWAP-UHFFFAOYSA-N
XLogP2.96
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.23
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-methoxy-N-(6-methoxy-3-pyridinyl)benzenesulfonamide
CID 3866014
5-bromo-N-(6-chloro-3-pyridinyl)-2-methoxybenzenesulfonamide
CID 78931983
5-bromo-N-(3,5-difluorophenyl)-2-methoxybenzenesulfonamide
CID 35940097
5-bromo-2-methoxy-N-(1H-pyrazol-5-yl)benzenesulfonamide
CID 56684268
5-bromo-2-methoxy-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzenesulfonamide
CID 25048503
methyl 4-[(5-bromo-2-methoxyphenyl)sulfonylamino]-2-methoxybenzoate
CID 25045124
5-bromo-N-(3-ethylphenyl)-2-methoxybenzenesulfonamide
CID 26979755
5-bromo-2-methoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 60824545
4-methoxy-2,3,5-trimethyl-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 110758398
5-bromo-2-methoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 26970310
2-chloro-4-methoxy-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 110758843
2-methoxy-5-methyl-N-pyridin-4-ylbenzenesulfonamide
CID 1125112

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methoxy-N-(2-methyl-4-pyridinyl)benzenesulfonamide?
The IUPAC name of 5-bromo-2-methoxy-N-(2-methyl-4-pyridinyl)benzenesulfonamide (CID 78955910) is 5-bromo-2-methoxy-N-(2-methyl-4-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 5-bromo-2-methoxy-N-(2-methyl-4-pyridinyl)benzenesulfonamide?
The canonical SMILES for 5-bromo-2-methoxy-N-(2-methyl-4-pyridinyl)benzenesulfonamide is COc1ccc(Br)cc1S(=O)(=O)Nc1ccnc(C)c1.
What is the InChIKey of 5-bromo-2-methoxy-N-(2-methyl-4-pyridinyl)benzenesulfonamide?
The InChIKey is QCBMFDNPPJRWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O3S/c1-9-7-11(5-6-15-9)16-20(17,18)13-8-10(14)3-4-12(13)19-2/h3-8H,1-2H3,(H,15,16).
What are the key properties of 5-bromo-2-methoxy-N-(2-methyl-4-pyridinyl)benzenesulfonamide?
5-bromo-2-methoxy-N-(2-methyl-4-pyridinyl)benzenesulfonamide has a molecular weight of 357.23 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methoxy-N-(2-methyl-4-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 78955910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).