5-bromo-2-methoxy-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzenesulfonamide

C18H16BrN3O5S2 — CID 25048503

IUPAC5-bromo-2-methoxy-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzenesulfonamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1
InChIInChI=1S/C18H16BrN3O5S2/c1-27-16-10-5-13(19)12-17(16)29(25,26)21-14-6-8-15(9-7-14)28(23,24)22-18-4-2-3-11-20-18/h2-12,21H,1H3,(H,20,22)
InChIKeyQZZCUVHXEFILAW-UHFFFAOYSA-N
MW498.38 g/mol
LogP3.45
Rot. Bonds7

About 5-bromo-2-methoxy-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzenesulfonamide

5-bromo-2-methoxy-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzenesulfonamide (PubChem CID 25048503) has the molecular formula C18H16BrN3O5S2 and a molecular weight of 498.38 g/mol. Its IUPAC name is 5-bromo-2-methoxy-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name5-bromo-2-methoxy-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzenesulfonamide
PubChem CID25048503
Molecular FormulaC18H16BrN3O5S2
Molecular Weight498.38 g/mol
Exact Mass496.97
IUPAC Name5-bromo-2-methoxy-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzenesulfonamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1
InChIInChI=1S/C18H16BrN3O5S2/c1-27-16-10-5-13(19)12-17(16)29(25,26)21-14-6-8-15(9-7-14)28(23,24)22-18-4-2-3-11-20-18/h2-12,21H,1H3,(H,20,22)
InChIKeyQZZCUVHXEFILAW-UHFFFAOYSA-N
XLogP3.45
TPSA114.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.38
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-N-(6-bromo-2-pyridinyl)-2-methoxybenzenesulfonamide
CID 115631102
5-bromo-2-methoxy-N-(6-methoxy-3-pyridinyl)benzenesulfonamide
CID 3866014
3-(benzenesulfonamido)-N-(4-bromophenyl)-4-methoxybenzenesulfonamide
CID 26982440
5-bromo-2-methoxy-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 78955910
5-bromo-N-(6-chloro-3-pyridinyl)-2-methoxybenzenesulfonamide
CID 78931983
5-bromo-N-(6-fluoro-2-pyridinyl)-2-methoxybenzenesulfonamide
CID 104821613
4-bromo-5-methoxy-2-methyl-N-pyridin-2-ylbenzenesulfonamide
CID 16644702
5-bromo-2-methoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 26970310
4-[(4-ethoxyphenyl)sulfonylamino]-N-pyridin-2-ylbenzenesulfonamide
CID 92674441
5-bromo-2-ethoxy-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzenesulfonamide
CID 2473949
5-amino-2,4-dimethoxy-N-pyridin-2-ylbenzenesulfonamide
CID 102945838
4-chloro-3-methoxy-N-pyridin-2-ylbenzenesulfonamide
CID 674105

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methoxy-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzenesulfonamide?
The IUPAC name of 5-bromo-2-methoxy-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzenesulfonamide (CID 25048503) is 5-bromo-2-methoxy-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 5-bromo-2-methoxy-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzenesulfonamide?
The canonical SMILES for 5-bromo-2-methoxy-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzenesulfonamide is COc1ccc(Br)cc1S(=O)(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1.
What is the InChIKey of 5-bromo-2-methoxy-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzenesulfonamide?
The InChIKey is QZZCUVHXEFILAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN3O5S2/c1-27-16-10-5-13(19)12-17(16)29(25,26)21-14-6-8-15(9-7-14)28(23,24)22-18-4-2-3-11-20-18/h2-12,21H,1H3,(H,20,22).
What are the key properties of 5-bromo-2-methoxy-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzenesulfonamide?
5-bromo-2-methoxy-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzenesulfonamide has a molecular weight of 498.38 g/mol, XLogP of 3.45, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methoxy-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 25048503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).