5-bromo-N-(6-chloro-3-pyridinyl)-2-methoxybenzenesulfonamide

C12H10BrClN2O3S — CID 78931983

IUPAC5-bromo-N-(6-chloro-3-pyridinyl)-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(Cl)nc1
InChIInChI=1S/C12H10BrClN2O3S/c1-19-10-4-2-8(13)6-11(10)20(17,18)16-9-3-5-12(14)15-7-9/h2-7,16H,1H3
InChIKeyFJTHSIXPDVXSCS-UHFFFAOYSA-N
MW377.65 g/mol
LogP3.31
Rot. Bonds4

About 5-bromo-N-(6-chloro-3-pyridinyl)-2-methoxybenzenesulfonamide

5-bromo-N-(6-chloro-3-pyridinyl)-2-methoxybenzenesulfonamide (PubChem CID 78931983) has the molecular formula C12H10BrClN2O3S and a molecular weight of 377.65 g/mol. Its IUPAC name is 5-bromo-N-(6-chloro-3-pyridinyl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-bromo-N-(6-chloro-3-pyridinyl)-2-methoxybenzenesulfonamide
PubChem CID78931983
Molecular FormulaC12H10BrClN2O3S
Molecular Weight377.65 g/mol
Exact Mass375.93
IUPAC Name5-bromo-N-(6-chloro-3-pyridinyl)-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(Cl)nc1
InChIInChI=1S/C12H10BrClN2O3S/c1-19-10-4-2-8(13)6-11(10)20(17,18)16-9-3-5-12(14)15-7-9/h2-7,16H,1H3
InChIKeyFJTHSIXPDVXSCS-UHFFFAOYSA-N
XLogP3.31
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.65
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-methoxy-N-(6-methoxy-3-pyridinyl)benzenesulfonamide
CID 3866014
4-bromo-N-(6-chloro-3-pyridinyl)-2-fluorobenzenesulfonamide
CID 116528770
5-bromo-2-methoxy-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 78955910
5-chloro-2-methoxy-N-(6-methoxy-3-pyridinyl)benzenesulfonamide
CID 3476038
5-bromo-N-(3,5-difluorophenyl)-2-methoxybenzenesulfonamide
CID 35940097
5-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-methoxybenzenesulfonamide
CID 3712259
5-bromo-2-methoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 26970310
5-bromo-2-methoxy-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzenesulfonamide
CID 25048503
5-bromo-N-(2-chloro-4,6-dimethylphenyl)-2-methoxybenzenesulfonamide
CID 74225212
methyl 4-[(5-bromo-2-methoxyphenyl)sulfonylamino]-2-methoxybenzoate
CID 25045124
5-bromo-2-methoxy-N-(1H-pyrazol-5-yl)benzenesulfonamide
CID 56684268
N-[4-[(5-bromo-2-methoxyphenyl)sulfonylamino]phenyl]-2-methylpropanamide
CID 26965710

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(6-chloro-3-pyridinyl)-2-methoxybenzenesulfonamide?
The IUPAC name of 5-bromo-N-(6-chloro-3-pyridinyl)-2-methoxybenzenesulfonamide (CID 78931983) is 5-bromo-N-(6-chloro-3-pyridinyl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-bromo-N-(6-chloro-3-pyridinyl)-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-bromo-N-(6-chloro-3-pyridinyl)-2-methoxybenzenesulfonamide is COc1ccc(Br)cc1S(=O)(=O)Nc1ccc(Cl)nc1.
What is the InChIKey of 5-bromo-N-(6-chloro-3-pyridinyl)-2-methoxybenzenesulfonamide?
The InChIKey is FJTHSIXPDVXSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClN2O3S/c1-19-10-4-2-8(13)6-11(10)20(17,18)16-9-3-5-12(14)15-7-9/h2-7,16H,1H3.
What are the key properties of 5-bromo-N-(6-chloro-3-pyridinyl)-2-methoxybenzenesulfonamide?
5-bromo-N-(6-chloro-3-pyridinyl)-2-methoxybenzenesulfonamide has a molecular weight of 377.65 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(6-chloro-3-pyridinyl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 78931983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).