2,4-dibromo-N-(1-ethyl-6-oxo-3-pyridinyl)benzenesulfonamide

C13H12Br2N2O3S — CID 61216187

IUPAC2,4-dibromo-N-(1-ethyl-6-oxo-3-pyridinyl)benzenesulfonamide
SMILESCCn1cc(NS(=O)(=O)c2ccc(Br)cc2Br)ccc1=O
InChIInChI=1S/C13H12Br2N2O3S/c1-2-17-8-10(4-6-13(17)18)16-21(19,20)12-5-3-9(14)7-11(12)15/h3-8,16H,2H2,1H3
InChIKeyLTSSWCPHSHFWOB-UHFFFAOYSA-N
MW436.13 g/mol
LogP3.19
Rot. Bonds4

About 2,4-dibromo-N-(1-ethyl-6-oxo-3-pyridinyl)benzenesulfonamide

2,4-dibromo-N-(1-ethyl-6-oxo-3-pyridinyl)benzenesulfonamide (PubChem CID 61216187) has the molecular formula C13H12Br2N2O3S and a molecular weight of 436.13 g/mol. Its IUPAC name is 2,4-dibromo-N-(1-ethyl-6-oxo-3-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-dibromo-N-(1-ethyl-6-oxo-3-pyridinyl)benzenesulfonamide
PubChem CID61216187
Molecular FormulaC13H12Br2N2O3S
Molecular Weight436.13 g/mol
Exact Mass433.89
IUPAC Name2,4-dibromo-N-(1-ethyl-6-oxo-3-pyridinyl)benzenesulfonamide
SMILESCCn1cc(NS(=O)(=O)c2ccc(Br)cc2Br)ccc1=O
InChIInChI=1S/C13H12Br2N2O3S/c1-2-17-8-10(4-6-13(17)18)16-21(19,20)12-5-3-9(14)7-11(12)15/h3-8,16H,2H2,1H3
InChIKeyLTSSWCPHSHFWOB-UHFFFAOYSA-N
XLogP3.19
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.13
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-(1-ethyl-6-oxo-3-pyridinyl)-3-fluorobenzenesulfonamide
CID 103710399
2,4-dibromo-N-(3-bromo-4-methylphenyl)benzenesulfonamide
CID 63421623
2,4-dibromo-N-(4-cyanophenyl)benzenesulfonamide
CID 47257475
2,4-dibromo-N-(4-bromo-2-ethylphenyl)benzenesulfonamide
CID 81288953
2,4-dibromo-N-(3-methylphenyl)benzenesulfonamide
CID 47257416
2,4-dibromo-N-(4-bromo-3-methoxyphenyl)benzenesulfonamide
CID 82861269
2,4-dibromo-N-(6-methyl-3-pyridinyl)benzenesulfonamide
CID 81495216
2,4-dibromo-N-(4-fluoro-3-methoxyphenyl)benzenesulfonamide
CID 114840621
2,4-dibromo-N-pyridin-4-ylbenzenesulfonamide
CID 60823437
2-[(1-ethyl-6-oxo-3-pyridinyl)sulfamoyl]acetic acid
CID 60932761
2-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)ethanesulfonamide
CID 107651560
5-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 64606352

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-(1-ethyl-6-oxo-3-pyridinyl)benzenesulfonamide?
The IUPAC name of 2,4-dibromo-N-(1-ethyl-6-oxo-3-pyridinyl)benzenesulfonamide (CID 61216187) is 2,4-dibromo-N-(1-ethyl-6-oxo-3-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 2,4-dibromo-N-(1-ethyl-6-oxo-3-pyridinyl)benzenesulfonamide?
The canonical SMILES for 2,4-dibromo-N-(1-ethyl-6-oxo-3-pyridinyl)benzenesulfonamide is CCn1cc(NS(=O)(=O)c2ccc(Br)cc2Br)ccc1=O.
What is the InChIKey of 2,4-dibromo-N-(1-ethyl-6-oxo-3-pyridinyl)benzenesulfonamide?
The InChIKey is LTSSWCPHSHFWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Br2N2O3S/c1-2-17-8-10(4-6-13(17)18)16-21(19,20)12-5-3-9(14)7-11(12)15/h3-8,16H,2H2,1H3.
What are the key properties of 2,4-dibromo-N-(1-ethyl-6-oxo-3-pyridinyl)benzenesulfonamide?
2,4-dibromo-N-(1-ethyl-6-oxo-3-pyridinyl)benzenesulfonamide has a molecular weight of 436.13 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-(1-ethyl-6-oxo-3-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 61216187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).