5-chloro-N-(2,6-dibromo-4-methylphenyl)-6-oxo-1H-pyridine-3-sulfonamide

C12H9Br2ClN2O3S — CID 64608816

IUPAC5-chloro-N-(2,6-dibromo-4-methylphenyl)-6-oxo-1H-pyridine-3-sulfonamide
SMILESCc1cc(Br)c(NS(=O)(=O)c2c[nH]c(=O)c(Cl)c2)c(Br)c1
InChIInChI=1S/C12H9Br2ClN2O3S/c1-6-2-8(13)11(9(14)3-6)17-21(19,20)7-4-10(15)12(18)16-5-7/h2-5,17H,1H3,(H,16,18)
InChIKeyCVYZBIBUIMPMMV-UHFFFAOYSA-N
MW456.54 g/mol
LogP3.66
Rot. Bonds3

About 5-chloro-N-(2,6-dibromo-4-methylphenyl)-6-oxo-1H-pyridine-3-sulfonamide

5-chloro-N-(2,6-dibromo-4-methylphenyl)-6-oxo-1H-pyridine-3-sulfonamide (PubChem CID 64608816) has the molecular formula C12H9Br2ClN2O3S and a molecular weight of 456.54 g/mol. Its IUPAC name is 5-chloro-N-(2,6-dibromo-4-methylphenyl)-6-oxo-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(2,6-dibromo-4-methylphenyl)-6-oxo-1H-pyridine-3-sulfonamide
PubChem CID64608816
Molecular FormulaC12H9Br2ClN2O3S
Molecular Weight456.54 g/mol
Exact Mass453.84
IUPAC Name5-chloro-N-(2,6-dibromo-4-methylphenyl)-6-oxo-1H-pyridine-3-sulfonamide
SMILESCc1cc(Br)c(NS(=O)(=O)c2c[nH]c(=O)c(Cl)c2)c(Br)c1
InChIInChI=1S/C12H9Br2ClN2O3S/c1-6-2-8(13)11(9(14)3-6)17-21(19,20)7-4-10(15)12(18)16-5-7/h2-5,17H,1H3,(H,16,18)
InChIKeyCVYZBIBUIMPMMV-UHFFFAOYSA-N
XLogP3.66
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.54
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-(2,4-dimethylphenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 64608237
5-chloro-N-(2,6-difluorophenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 64606342
N-(2-bromo-3-chlorophenyl)-5-chloro-6-oxo-1H-pyridine-3-sulfonamide
CID 103481116
5-chloro-N-(3,4-dichlorophenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 64607480
5-chloro-N-(4-iodo-2-methylphenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 64607321
N-(5-bromo-1,3-thiazol-2-yl)-5-chloro-6-oxo-1H-pyridine-3-sulfonamide
CID 64607879
5-chloro-N-(2-ethylphenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 64606531
5-chloro-N-[3-(dimethylamino)phenyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 115378925
5-chloro-N-(1-methylcyclobutyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 113485860
N-(2,6-dibromo-4-methylphenyl)benzenesulfonamide
CID 60640316
5-chloro-6-oxo-N-(3-sulfamoylpropyl)-1H-pyridine-3-sulfonamide
CID 64609049
2-chloro-N-(2,6-dibromo-4-methylphenyl)pyridine-4-sulfonamide
CID 61004569

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2,6-dibromo-4-methylphenyl)-6-oxo-1H-pyridine-3-sulfonamide?
The IUPAC name of 5-chloro-N-(2,6-dibromo-4-methylphenyl)-6-oxo-1H-pyridine-3-sulfonamide (CID 64608816) is 5-chloro-N-(2,6-dibromo-4-methylphenyl)-6-oxo-1H-pyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-N-(2,6-dibromo-4-methylphenyl)-6-oxo-1H-pyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-N-(2,6-dibromo-4-methylphenyl)-6-oxo-1H-pyridine-3-sulfonamide is Cc1cc(Br)c(NS(=O)(=O)c2c[nH]c(=O)c(Cl)c2)c(Br)c1.
What is the InChIKey of 5-chloro-N-(2,6-dibromo-4-methylphenyl)-6-oxo-1H-pyridine-3-sulfonamide?
The InChIKey is CVYZBIBUIMPMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br2ClN2O3S/c1-6-2-8(13)11(9(14)3-6)17-21(19,20)7-4-10(15)12(18)16-5-7/h2-5,17H,1H3,(H,16,18).
What are the key properties of 5-chloro-N-(2,6-dibromo-4-methylphenyl)-6-oxo-1H-pyridine-3-sulfonamide?
5-chloro-N-(2,6-dibromo-4-methylphenyl)-6-oxo-1H-pyridine-3-sulfonamide has a molecular weight of 456.54 g/mol, XLogP of 3.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2,6-dibromo-4-methylphenyl)-6-oxo-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 64608816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).