4-bromo-N-(1-ethyl-6-oxo-3-pyridinyl)-3-fluorobenzenesulfonamide

C13H12BrFN2O3S — CID 103710399

IUPAC4-bromo-N-(1-ethyl-6-oxo-3-pyridinyl)-3-fluorobenzenesulfonamide
SMILESCCn1cc(NS(=O)(=O)c2ccc(Br)c(F)c2)ccc1=O
InChIInChI=1S/C13H12BrFN2O3S/c1-2-17-8-9(3-6-13(17)18)16-21(19,20)10-4-5-11(14)12(15)7-10/h3-8,16H,2H2,1H3
InChIKeyKRWFYWZICYNGTJ-UHFFFAOYSA-N
MW375.22 g/mol
LogP2.57
Rot. Bonds4

About 4-bromo-N-(1-ethyl-6-oxo-3-pyridinyl)-3-fluorobenzenesulfonamide

4-bromo-N-(1-ethyl-6-oxo-3-pyridinyl)-3-fluorobenzenesulfonamide (PubChem CID 103710399) has the molecular formula C13H12BrFN2O3S and a molecular weight of 375.22 g/mol. Its IUPAC name is 4-bromo-N-(1-ethyl-6-oxo-3-pyridinyl)-3-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(1-ethyl-6-oxo-3-pyridinyl)-3-fluorobenzenesulfonamide
PubChem CID103710399
Molecular FormulaC13H12BrFN2O3S
Molecular Weight375.22 g/mol
Exact Mass373.97
IUPAC Name4-bromo-N-(1-ethyl-6-oxo-3-pyridinyl)-3-fluorobenzenesulfonamide
SMILESCCn1cc(NS(=O)(=O)c2ccc(Br)c(F)c2)ccc1=O
InChIInChI=1S/C13H12BrFN2O3S/c1-2-17-8-9(3-6-13(17)18)16-21(19,20)10-4-5-11(14)12(15)7-10/h3-8,16H,2H2,1H3
InChIKeyKRWFYWZICYNGTJ-UHFFFAOYSA-N
XLogP2.57
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.22
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dibromo-N-(1-ethyl-6-oxo-3-pyridinyl)benzenesulfonamide
CID 61216187
4-bromo-3-fluoro-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 97161992
4-bromo-3-fluoro-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
CID 97162019
4-bromo-N-(3,4-dimethylphenyl)-3-fluorobenzenesulfonamide
CID 97161938
5-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 64606352
4-bromo-3-fluoro-N-(3-fluorophenyl)benzenesulfonamide
CID 97161985
4-bromo-N-(2-ethylphenyl)-3-fluorobenzenesulfonamide
CID 97161968
N-(4-bromo-3-fluorophenyl)-4-butylbenzenesulfonamide
CID 3568453
4-bromo-N-[6-(dimethylamino)-3-pyridinyl]-3-fluorobenzenesulfonamide
CID 103709775
3-bromo-N-(1-ethylpyrazol-4-yl)-4-fluorobenzenesulfonamide
CID 71991658
4-bromo-N-(2-bromo-6-fluorophenyl)-3-fluorobenzenesulfonamide
CID 103822956
4-amino-N-(4-bromo-3-fluorophenyl)benzenesulfonamide
CID 50998348

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(1-ethyl-6-oxo-3-pyridinyl)-3-fluorobenzenesulfonamide?
The IUPAC name of 4-bromo-N-(1-ethyl-6-oxo-3-pyridinyl)-3-fluorobenzenesulfonamide (CID 103710399) is 4-bromo-N-(1-ethyl-6-oxo-3-pyridinyl)-3-fluorobenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(1-ethyl-6-oxo-3-pyridinyl)-3-fluorobenzenesulfonamide?
The canonical SMILES for 4-bromo-N-(1-ethyl-6-oxo-3-pyridinyl)-3-fluorobenzenesulfonamide is CCn1cc(NS(=O)(=O)c2ccc(Br)c(F)c2)ccc1=O.
What is the InChIKey of 4-bromo-N-(1-ethyl-6-oxo-3-pyridinyl)-3-fluorobenzenesulfonamide?
The InChIKey is KRWFYWZICYNGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFN2O3S/c1-2-17-8-9(3-6-13(17)18)16-21(19,20)10-4-5-11(14)12(15)7-10/h3-8,16H,2H2,1H3.
What are the key properties of 4-bromo-N-(1-ethyl-6-oxo-3-pyridinyl)-3-fluorobenzenesulfonamide?
4-bromo-N-(1-ethyl-6-oxo-3-pyridinyl)-3-fluorobenzenesulfonamide has a molecular weight of 375.22 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(1-ethyl-6-oxo-3-pyridinyl)-3-fluorobenzenesulfonamide is sourced from PubChem (CID 103710399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).